N-[4-(propan-2-ylsulfamoyl)phenyl]-2-(1,2,4-triazol-1-yl)acetamide

C13H17N5O3S — CID 9179282

IUPACN-[4-(propan-2-ylsulfamoyl)phenyl]-2-(1,2,4-triazol-1-yl)acetamide
SMILESCC(C)NS(=O)(=O)c1ccc(NC(=O)Cn2cncn2)cc1
InChIInChI=1S/C13H17N5O3S/c1-10(2)17-22(20,21)12-5-3-11(4-6-12)16-13(19)7-18-9-14-8-15-18/h3-6,8-10,17H,7H2,1-2H3,(H,16,19)
InChIKeyUGLMHBHVIPFLCC-UHFFFAOYSA-N
MW323.38 g/mol
LogP0.60
Rot. Bonds6

About N-[4-(propan-2-ylsulfamoyl)phenyl]-2-(1,2,4-triazol-1-yl)acetamide

N-[4-(propan-2-ylsulfamoyl)phenyl]-2-(1,2,4-triazol-1-yl)acetamide (PubChem CID 9179282) has the molecular formula C13H17N5O3S and a molecular weight of 323.38 g/mol. Its IUPAC name is N-[4-(propan-2-ylsulfamoyl)phenyl]-2-(1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[4-(propan-2-ylsulfamoyl)phenyl]-2-(1,2,4-triazol-1-yl)acetamide
PubChem CID9179282
Molecular FormulaC13H17N5O3S
Molecular Weight323.38 g/mol
Exact Mass323.11
IUPAC NameN-[4-(propan-2-ylsulfamoyl)phenyl]-2-(1,2,4-triazol-1-yl)acetamide
SMILESCC(C)NS(=O)(=O)c1ccc(NC(=O)Cn2cncn2)cc1
InChIInChI=1S/C13H17N5O3S/c1-10(2)17-22(20,21)12-5-3-11(4-6-12)16-13(19)7-18-9-14-8-15-18/h3-6,8-10,17H,7H2,1-2H3,(H,16,19)
InChIKeyUGLMHBHVIPFLCC-UHFFFAOYSA-N
XLogP0.60
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.38
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(propan-2-ylsulfamoyl)phenyl]-2-(1,2,4-triazol-1-yl)acetamide?
The IUPAC name of N-[4-(propan-2-ylsulfamoyl)phenyl]-2-(1,2,4-triazol-1-yl)acetamide (CID 9179282) is N-[4-(propan-2-ylsulfamoyl)phenyl]-2-(1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for N-[4-(propan-2-ylsulfamoyl)phenyl]-2-(1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for N-[4-(propan-2-ylsulfamoyl)phenyl]-2-(1,2,4-triazol-1-yl)acetamide is CC(C)NS(=O)(=O)c1ccc(NC(=O)Cn2cncn2)cc1.
What is the InChIKey of N-[4-(propan-2-ylsulfamoyl)phenyl]-2-(1,2,4-triazol-1-yl)acetamide?
The InChIKey is UGLMHBHVIPFLCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O3S/c1-10(2)17-22(20,21)12-5-3-11(4-6-12)16-13(19)7-18-9-14-8-15-18/h3-6,8-10,17H,7H2,1-2H3,(H,16,19).
What are the key properties of N-[4-(propan-2-ylsulfamoyl)phenyl]-2-(1,2,4-triazol-1-yl)acetamide?
N-[4-(propan-2-ylsulfamoyl)phenyl]-2-(1,2,4-triazol-1-yl)acetamide has a molecular weight of 323.38 g/mol, XLogP of 0.60, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(propan-2-ylsulfamoyl)phenyl]-2-(1,2,4-triazol-1-yl)acetamide is sourced from PubChem (CID 9179282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).