2-(4-aminotriazol-2-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide

C11H14N6O3S — CID 112521930

IUPAC2-(4-aminotriazol-2-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide
SMILESNc1cnn(CC(=O)NCc2ccc(S(N)(=O)=O)cc2)n1
InChIInChI=1S/C11H14N6O3S/c12-10-6-15-17(16-10)7-11(18)14-5-8-1-3-9(4-2-8)21(13,19)20/h1-4,6H,5,7H2,(H2,12,16)(H,14,18)(H2,13,19,20)
InChIKeyLUZTWRPZGSIAPQ-UHFFFAOYSA-N
MW310.34 g/mol
LogP-1.18
Rot. Bonds5

About 2-(4-aminotriazol-2-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide

2-(4-aminotriazol-2-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide (PubChem CID 112521930) has the molecular formula C11H14N6O3S and a molecular weight of 310.34 g/mol. Its IUPAC name is 2-(4-aminotriazol-2-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-aminotriazol-2-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide
PubChem CID112521930
Molecular FormulaC11H14N6O3S
Molecular Weight310.34 g/mol
Exact Mass310.08
IUPAC Name2-(4-aminotriazol-2-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide
SMILESNc1cnn(CC(=O)NCc2ccc(S(N)(=O)=O)cc2)n1
InChIInChI=1S/C11H14N6O3S/c12-10-6-15-17(16-10)7-11(18)14-5-8-1-3-9(4-2-8)21(13,19)20/h1-4,6H,5,7H2,(H2,12,16)(H,14,18)(H2,13,19,20)
InChIKeyLUZTWRPZGSIAPQ-UHFFFAOYSA-N
XLogP-1.18
TPSA145.99 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.34
LogP ≤ 5-1.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-(methanesulfonamido)triazol-2-yl]-N-[(4-methylsulfonylphenyl)methyl]acetamide
CID 112522307
2-(prop-2-ynylamino)-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 78909532
2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 30739658
2-amino-N-[2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl]acetamide
CID 10756624
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 3145052
2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 86774745
N-[(4-sulfamoylphenyl)methyl]pentanamide
CID 4162938
N-[[4-(azepan-1-ylmethyl)phenyl]methyl]-2-(4-sulfamoylphenyl)acetamide
CID 56512355
4-amino-1-methyl-N-[(4-sulfamoylphenyl)methyl]pyrazole-3-carboxamide
CID 65354656
N-[(4-sulfamoylphenyl)methyl]cycloheptanecarboxamide
CID 10470657
6-amino-N-[(4-sulfamoylphenyl)methyl]hexanamide
CID 24689884
N-[(4-sulfamoylphenyl)methyl]hexanamide
CID 3562284

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminotriazol-2-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide?
The IUPAC name of 2-(4-aminotriazol-2-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide (CID 112521930) is 2-(4-aminotriazol-2-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(4-aminotriazol-2-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide?
The canonical SMILES for 2-(4-aminotriazol-2-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide is Nc1cnn(CC(=O)NCc2ccc(S(N)(=O)=O)cc2)n1.
What is the InChIKey of 2-(4-aminotriazol-2-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide?
The InChIKey is LUZTWRPZGSIAPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6O3S/c12-10-6-15-17(16-10)7-11(18)14-5-8-1-3-9(4-2-8)21(13,19)20/h1-4,6H,5,7H2,(H2,12,16)(H,14,18)(H2,13,19,20).
What are the key properties of 2-(4-aminotriazol-2-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide?
2-(4-aminotriazol-2-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide has a molecular weight of 310.34 g/mol, XLogP of -1.18, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminotriazol-2-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide is sourced from PubChem (CID 112521930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).