Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	43697
Common Name:	Sulfaphenazole
Systematic Name:	4-amino-N-(1-phenyl-1H-pyrazol-5-yl)benzene-1-sulfonamide
RefMet Name:	Sulfaphenazole
Synonyms:	[PubChem Synonyms]
Exact Mass:	314.0837 (neutral)    Calculate m/z: (Choose adduct) [M+H]+ [M+H-H2O]+ [M.]+ [M+2H]2+ [M+3H]3+ [M+4H]4+ [M+K]+ [M+2K]2+ [M-H+2K]+ [M+Na]+ [M+2Na]2+ [M-H+2Na]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M-H]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+HCOO]- M(neutral)
Formula:	C15H14N4O2S
InChIKey:	QWCJHSGMANYXCW-UHFFFAOYSA-N
ClassyFire superclass:	Organoheterocyclic compounds [C0000002]
ClassyFire class:	Azoles [C0000436]
ClassyFire subclass:	Pyrazoles [C0000087]
ClassyFire direct parent:	Phenylpyrazoles [C0002019]
SMILES:	c1ccc(cc1)n1c(ccn1)NS(=O)(=O)c1ccc(cc1)N
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	5335
CHEBI ID:	253330
HMDB ID:	HMDB0015667
Chemspider ID:	5144
EPA CompTox DB:	DTXCID0024131
Plant Metabolite Hub(Pmhub):	MS000001240

References

LIPID MAPS classification: "Update of the LIPID MAPS comprehensive classification system for lipids", Fahy E, Subramaniam S, Murphy RC, Nishijima M, Raetz CR, Shimizu T, Spener F, van Meer G, Wakelam MJ, and Dennis EA, J. Lipid Res. (2009) 50: S9-S14. DOI: 10.1194/jlr.R800095-JLR200
ClassyFire classification: "ClassyFire: automated chemical classification with a comprehensive, computable taxonomy", Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS, J. Cheminformatics (2016) 8:61. DOI: 10.1186/s13321-016-0174-y