1-[5-amino-1-(4-sulfamoylphenyl)-1,2,4-triazol-3-yl]-3-phenylurea

C15H15N7O3S — CID 155557925

IUPAC1-[5-amino-1-(4-sulfamoylphenyl)-1,2,4-triazol-3-yl]-3-phenylurea
SMILESNc1nc(NC(=O)Nc2ccccc2)nn1-c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C15H15N7O3S/c16-13-19-14(20-15(23)18-10-4-2-1-3-5-10)21-22(13)11-6-8-12(9-7-11)26(17,24)25/h1-9H,(H2,17,24,25)(H4,16,18,19,20,21,23)
InChIKeyMDFYLPAPFMHRAH-UHFFFAOYSA-N
MW373.40 g/mol
LogP1.14
Rot. Bonds4

About 1-[5-amino-1-(4-sulfamoylphenyl)-1,2,4-triazol-3-yl]-3-phenylurea

1-[5-amino-1-(4-sulfamoylphenyl)-1,2,4-triazol-3-yl]-3-phenylurea (PubChem CID 155557925) has the molecular formula C15H15N7O3S and a molecular weight of 373.40 g/mol. Its IUPAC name is 1-[5-amino-1-(4-sulfamoylphenyl)-1,2,4-triazol-3-yl]-3-phenylurea.

Molecular Properties

Compound Name1-[5-amino-1-(4-sulfamoylphenyl)-1,2,4-triazol-3-yl]-3-phenylurea
PubChem CID155557925
Molecular FormulaC15H15N7O3S
Molecular Weight373.40 g/mol
Exact Mass373.10
IUPAC Name1-[5-amino-1-(4-sulfamoylphenyl)-1,2,4-triazol-3-yl]-3-phenylurea
SMILESNc1nc(NC(=O)Nc2ccccc2)nn1-c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C15H15N7O3S/c16-13-19-14(20-15(23)18-10-4-2-1-3-5-10)21-22(13)11-6-8-12(9-7-11)26(17,24)25/h1-9H,(H2,17,24,25)(H4,16,18,19,20,21,23)
InChIKeyMDFYLPAPFMHRAH-UHFFFAOYSA-N
XLogP1.14
TPSA158.02 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.40
LogP ≤ 51.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

Cdk1/2 Inhibitor III
CID 5330812
N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-4-chlorobenzenesulfonamide
CID 930714
4-[5-Amino-1-(2,6-difluoro-benzenesulfonyl)-1H-[1,2,4]triazol-3-ylamino]-benzenesulfonamide
CID 5330810
5-Amino-3-[[4-(aminosulfonyl)phenyl]amino]-N-(2,6-difluorophenyl)-1H-1,2,4-triazole-1-carboxamide
CID 5330811
3-Amino-N-(2,6-difluorophenyl)-5-((4-sulfamoylphenyl)amino)-1H-1,2,4-triazole-1-carbothioamide
CID 5330814
N-(5-amino-1-phenyl-1H-1,2,4-triazol-3-yl)benzenesulfonamide
CID 802147
N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-4-methylbenzenesulfonamide
CID 802528
5-amino-N-phenyl-3-[(4-sulfamoylphenyl)amino]-1H-1,2,4-triazole-1-carboxamide
CID 145998262
N-[4-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]sulfonylphenyl]acetamide
CID 1455267
N-[4-[[4-(tetrazol-1-yl)phenyl]sulfamoyl]phenyl]acetamide
CID 4849410
4-[[5-Amino-2-(2,6-difluorobenzenecarbothioyl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide
CID 44398554
5-amino-N-(2,6-difluorophenyl)-3-(3-sulfamoylanilino)-1,2,4-triazole-1-carbothioamide
CID 52941609

Frequently Asked Questions

What is the IUPAC name of 1-[5-amino-1-(4-sulfamoylphenyl)-1,2,4-triazol-3-yl]-3-phenylurea?
The IUPAC name of 1-[5-amino-1-(4-sulfamoylphenyl)-1,2,4-triazol-3-yl]-3-phenylurea (CID 155557925) is 1-[5-amino-1-(4-sulfamoylphenyl)-1,2,4-triazol-3-yl]-3-phenylurea.
What is the SMILES notation for 1-[5-amino-1-(4-sulfamoylphenyl)-1,2,4-triazol-3-yl]-3-phenylurea?
The canonical SMILES for 1-[5-amino-1-(4-sulfamoylphenyl)-1,2,4-triazol-3-yl]-3-phenylurea is Nc1nc(NC(=O)Nc2ccccc2)nn1-c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 1-[5-amino-1-(4-sulfamoylphenyl)-1,2,4-triazol-3-yl]-3-phenylurea?
The InChIKey is MDFYLPAPFMHRAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N7O3S/c16-13-19-14(20-15(23)18-10-4-2-1-3-5-10)21-22(13)11-6-8-12(9-7-11)26(17,24)25/h1-9H,(H2,17,24,25)(H4,16,18,19,20,21,23).
What are the key properties of 1-[5-amino-1-(4-sulfamoylphenyl)-1,2,4-triazol-3-yl]-3-phenylurea?
1-[5-amino-1-(4-sulfamoylphenyl)-1,2,4-triazol-3-yl]-3-phenylurea has a molecular weight of 373.40 g/mol, XLogP of 1.14, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-amino-1-(4-sulfamoylphenyl)-1,2,4-triazol-3-yl]-3-phenylurea is sourced from PubChem (CID 155557925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).