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

C13H17N5O3S — CID 15943545

IUPACN-[4-[1-(1,2,4-triazol-1-yl)propan-2-ylsulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NC(C)Cn2cncn2)cc1
InChIInChI=1S/C13H17N5O3S/c1-10(7-18-9-14-8-15-18)17-22(20,21)13-5-3-12(4-6-13)16-11(2)19/h3-6,8-10,17H,7H2,1-2H3,(H,16,19)
InChIKeyFSRWVBKQCJSFNR-UHFFFAOYSA-N
MW323.38 g/mol
LogP0.60
Rot. Bonds6

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

N-[4-[1-(1,2,4-triazol-1-yl)propan-2-ylsulfamoyl]phenyl]acetamide (PubChem CID 15943545) has the molecular formula C13H17N5O3S and a molecular weight of 323.38 g/mol. Its IUPAC name is N-[4-[1-(1,2,4-triazol-1-yl)propan-2-ylsulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[1-(1,2,4-triazol-1-yl)propan-2-ylsulfamoyl]phenyl]acetamide
PubChem CID15943545
Molecular FormulaC13H17N5O3S
Molecular Weight323.38 g/mol
Exact Mass323.11
IUPAC NameN-[4-[1-(1,2,4-triazol-1-yl)propan-2-ylsulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NC(C)Cn2cncn2)cc1
InChIInChI=1S/C13H17N5O3S/c1-10(7-18-9-14-8-15-18)17-22(20,21)13-5-3-12(4-6-13)16-11(2)19/h3-6,8-10,17H,7H2,1-2H3,(H,16,19)
InChIKeyFSRWVBKQCJSFNR-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-[1-(1,2,4-triazol-1-yl)propan-2-ylsulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[1-(1,2,4-triazol-1-yl)propan-2-ylsulfamoyl]phenyl]acetamide (CID 15943545) is N-[4-[1-(1,2,4-triazol-1-yl)propan-2-ylsulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[1-(1,2,4-triazol-1-yl)propan-2-ylsulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[1-(1,2,4-triazol-1-yl)propan-2-ylsulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)NC(C)Cn2cncn2)cc1.
What is the InChIKey of N-[4-[1-(1,2,4-triazol-1-yl)propan-2-ylsulfamoyl]phenyl]acetamide?
The InChIKey is FSRWVBKQCJSFNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O3S/c1-10(7-18-9-14-8-15-18)17-22(20,21)13-5-3-12(4-6-13)16-11(2)19/h3-6,8-10,17H,7H2,1-2H3,(H,16,19).
What are the key properties of N-[4-[1-(1,2,4-triazol-1-yl)propan-2-ylsulfamoyl]phenyl]acetamide?
N-[4-[1-(1,2,4-triazol-1-yl)propan-2-ylsulfamoyl]phenyl]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-[1-(1,2,4-triazol-1-yl)propan-2-ylsulfamoyl]phenyl]acetamide is sourced from PubChem (CID 15943545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).