N-[4-[(5-amino-1-phenyl-1,2,4-triazol-3-yl)sulfamoyl]phenyl]acetamide

C16H16N6O3S — CID 1082918

IUPACN-[4-[(5-amino-1-phenyl-1,2,4-triazol-3-yl)sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2nc(N)n(-c3ccccc3)n2)cc1
InChIInChI=1S/C16H16N6O3S/c1-11(23)18-12-7-9-14(10-8-12)26(24,25)21-16-19-15(17)22(20-16)13-5-3-2-4-6-13/h2-10H,1H3,(H,18,23)(H3,17,19,20,21)
InChIKeyVQVBWIKWWKBICY-UHFFFAOYSA-N
MW372.41 g/mol
LogP1.61
Rot. Bonds5

About N-[4-[(5-amino-1-phenyl-1,2,4-triazol-3-yl)sulfamoyl]phenyl]acetamide

N-[4-[(5-amino-1-phenyl-1,2,4-triazol-3-yl)sulfamoyl]phenyl]acetamide (PubChem CID 1082918) has the molecular formula C16H16N6O3S and a molecular weight of 372.41 g/mol. Its IUPAC name is N-[4-[(5-amino-1-phenyl-1,2,4-triazol-3-yl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(5-amino-1-phenyl-1,2,4-triazol-3-yl)sulfamoyl]phenyl]acetamide
PubChem CID1082918
Molecular FormulaC16H16N6O3S
Molecular Weight372.41 g/mol
Exact Mass372.10
IUPAC NameN-[4-[(5-amino-1-phenyl-1,2,4-triazol-3-yl)sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2nc(N)n(-c3ccccc3)n2)cc1
InChIInChI=1S/C16H16N6O3S/c1-11(23)18-12-7-9-14(10-8-12)26(24,25)21-16-19-15(17)22(20-16)13-5-3-2-4-6-13/h2-10H,1H3,(H,18,23)(H3,17,19,20,21)
InChIKeyVQVBWIKWWKBICY-UHFFFAOYSA-N
XLogP1.61
TPSA132.00 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.41
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-amino-1-phenyl-1,2,4-triazol-3-yl)sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[(5-amino-1-phenyl-1,2,4-triazol-3-yl)sulfamoyl]phenyl]acetamide (CID 1082918) is N-[4-[(5-amino-1-phenyl-1,2,4-triazol-3-yl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(5-amino-1-phenyl-1,2,4-triazol-3-yl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(5-amino-1-phenyl-1,2,4-triazol-3-yl)sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)Nc2nc(N)n(-c3ccccc3)n2)cc1.
What is the InChIKey of N-[4-[(5-amino-1-phenyl-1,2,4-triazol-3-yl)sulfamoyl]phenyl]acetamide?
The InChIKey is VQVBWIKWWKBICY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O3S/c1-11(23)18-12-7-9-14(10-8-12)26(24,25)21-16-19-15(17)22(20-16)13-5-3-2-4-6-13/h2-10H,1H3,(H,18,23)(H3,17,19,20,21).
What are the key properties of N-[4-[(5-amino-1-phenyl-1,2,4-triazol-3-yl)sulfamoyl]phenyl]acetamide?
N-[4-[(5-amino-1-phenyl-1,2,4-triazol-3-yl)sulfamoyl]phenyl]acetamide has a molecular weight of 372.41 g/mol, XLogP of 1.61, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5-amino-1-phenyl-1,2,4-triazol-3-yl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 1082918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).