1-benzyl-N-[4-(sulfamoylmethyl)phenyl]triazole-4-carboxamide

C17H17N5O3S — CID 24684976

IUPAC1-benzyl-N-[4-(sulfamoylmethyl)phenyl]triazole-4-carboxamide
SMILESNS(=O)(=O)Cc1ccc(NC(=O)c2cn(Cc3ccccc3)nn2)cc1
InChIInChI=1S/C17H17N5O3S/c18-26(24,25)12-14-6-8-15(9-7-14)19-17(23)16-11-22(21-20-16)10-13-4-2-1-3-5-13/h1-9,11H,10,12H2,(H,19,23)(H2,18,24,25)
InChIKeyNHTUBYRJZRRIJW-UHFFFAOYSA-N
MW371.42 g/mol
LogP1.37
Rot. Bonds6

About 1-benzyl-N-[4-(sulfamoylmethyl)phenyl]triazole-4-carboxamide

1-benzyl-N-[4-(sulfamoylmethyl)phenyl]triazole-4-carboxamide (PubChem CID 24684976) has the molecular formula C17H17N5O3S and a molecular weight of 371.42 g/mol. Its IUPAC name is 1-benzyl-N-[4-(sulfamoylmethyl)phenyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[4-(sulfamoylmethyl)phenyl]triazole-4-carboxamide
PubChem CID24684976
Molecular FormulaC17H17N5O3S
Molecular Weight371.42 g/mol
Exact Mass371.11
IUPAC Name1-benzyl-N-[4-(sulfamoylmethyl)phenyl]triazole-4-carboxamide
SMILESNS(=O)(=O)Cc1ccc(NC(=O)c2cn(Cc3ccccc3)nn2)cc1
InChIInChI=1S/C17H17N5O3S/c18-26(24,25)12-14-6-8-15(9-7-14)19-17(23)16-11-22(21-20-16)10-13-4-2-1-3-5-13/h1-9,11H,10,12H2,(H,19,23)(H2,18,24,25)
InChIKeyNHTUBYRJZRRIJW-UHFFFAOYSA-N
XLogP1.37
TPSA119.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-benzyl-N-[4-(cyanomethyl)phenyl]triazole-4-carboxamide
CID 134046112
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CID 18146618
1-benzyl-N-[4-(cyanomethoxy)phenyl]triazole-4-carboxamide
CID 31867870
1-benzyl-N-[4-(4-methylpiperazin-1-yl)phenyl]triazole-4-carboxamide
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[2-(4-ethylanilino)-2-oxoethyl] 1-benzyltriazole-4-carboxylate
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1-benzyl-N-[4-bromo-3-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 24620815
N-(1,3-benzodioxol-5-yl)-1-benzyltriazole-4-carboxamide
CID 31699405
1-benzyl-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]triazole-4-carboxamide
CID 166215914
1-benzyltriazole-4-carbonyl chloride
CID 87720228
1-benzyl-N-[4-chloro-3-(trifluoromethyl)phenyl]triazole-4-carboxamide
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1-benzyl-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]triazole-4-carboxamide
CID 31031199
6-methyl-N-[4-(sulfamoylmethyl)phenyl]pyridine-2-carboxamide
CID 60727200

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[4-(sulfamoylmethyl)phenyl]triazole-4-carboxamide?
The IUPAC name of 1-benzyl-N-[4-(sulfamoylmethyl)phenyl]triazole-4-carboxamide (CID 24684976) is 1-benzyl-N-[4-(sulfamoylmethyl)phenyl]triazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-[4-(sulfamoylmethyl)phenyl]triazole-4-carboxamide?
The canonical SMILES for 1-benzyl-N-[4-(sulfamoylmethyl)phenyl]triazole-4-carboxamide is NS(=O)(=O)Cc1ccc(NC(=O)c2cn(Cc3ccccc3)nn2)cc1.
What is the InChIKey of 1-benzyl-N-[4-(sulfamoylmethyl)phenyl]triazole-4-carboxamide?
The InChIKey is NHTUBYRJZRRIJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O3S/c18-26(24,25)12-14-6-8-15(9-7-14)19-17(23)16-11-22(21-20-16)10-13-4-2-1-3-5-13/h1-9,11H,10,12H2,(H,19,23)(H2,18,24,25).
What are the key properties of 1-benzyl-N-[4-(sulfamoylmethyl)phenyl]triazole-4-carboxamide?
1-benzyl-N-[4-(sulfamoylmethyl)phenyl]triazole-4-carboxamide has a molecular weight of 371.42 g/mol, XLogP of 1.37, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[4-(sulfamoylmethyl)phenyl]triazole-4-carboxamide is sourced from PubChem (CID 24684976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).