NS-398

NS-398
Names
	Preferred IUPAC name N-[2-(Cyclohexyloxy)-4-nitrophenyl]methanesulfonamide
Identifiers
CAS Number	123653-11-2 ;
3D model (JSmol)	Interactive image;
ChEBI	CHEBI:73458 ;
ChEMBL	ChEMBL7162;
ChemSpider	4393 ;
DrugBank	DB14060;
IUPHAR/BPS	8976;
PubChem CID	4553;
CompTox Dashboard (EPA)	DTXSID8041084 ;
	InChI InChI=1S/C13H18N2O5S/c1-21(18,19)14-12-8-7-10(15(16)17)9-13(12)20-11-5-3-2-4-6-11/h7-9,11,14H,2-6H2,1H3 Key: KTDZCOWXCWUPEO-UHFFFAOYSA-N ; InChI=1/C13H18N2O5S/c1-21(18,19)14-12-8-7-10(15(16)17)9-13(12)20-11-5-3-2-4-6-11/h7-9,11,14H,2-6H2,1H3 Key: KTDZCOWXCWUPEO-UHFFFAOYAY;
	SMILES CS(=O)(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])OC2CCCCC2;
Properties
Chemical formula	C13H18N2O5S
Molar mass	314.36 g·mol−1
Appearance	Off-white solid
Solubility in water	Insoluble
Solubility in DMSO	5 mg/mL
Hazards
	GHS labelling:
Pictograms
Signal word	Warning
Hazard statements	H302, H312, H332
Precautionary statements	P280
	Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). verify (what is ?) Infobox references

NS-398 is a COX-2 inhibitor used in the study of the function of cyclooxygenases.^[2]

References

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Names


Preferred IUPAC name N-[2-(Cyclohexyloxy)-4-nitrophenyl]methanesulfonamide
Identifiers
CAS Number	123653-11-2^Y
3D model (JSmol)	Interactive image
ChEBI	CHEBI:73458^Y
ChEMBL	ChEMBL7162
ChemSpider	4393^Y
DrugBank	DB14060
IUPHAR/BPS	8976
PubChem CID	4553
CompTox Dashboard (EPA)	DTXSID8041084
InChI InChI=1S/C13H18N2O5S/c1-21(18,19)14-12-8-7-10(15(16)17)9-13(12)20-11-5-3-2-4-6-11/h7-9,11,14H,2-6H2,1H3^Y Key: KTDZCOWXCWUPEO-UHFFFAOYSA-N^N InChI=1/C13H18N2O5S/c1-21(18,19)14-12-8-7-10(15(16)17)9-13(12)20-11-5-3-2-4-6-11/h7-9,11,14H,2-6H2,1H3 Key: KTDZCOWXCWUPEO-UHFFFAOYAY
SMILES CS(=O)(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])OC2CCCCC2
Properties
Chemical formula	C₁₃H₁₈N₂O₅S
Molar mass	314.36 g·mol⁻¹
Appearance	Off-white solid
Solubility in water	Insoluble
Solubility in DMSO	5 mg/mL
Hazards
GHS labelling:^[1]
Pictograms
Signal word	Warning
Hazard statements	H302, H312, H332
Precautionary statements	P280
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). N verify (what is ^YN ?) Infobox references