N,N-dimethyl-3-[methyl(phenyl)sulfamoyl]-1,2,4-triazole-1-carboxamide

C12H15N5O3S — CID 71449144

IUPACN,N-dimethyl-3-[methyl(phenyl)sulfamoyl]-1,2,4-triazole-1-carboxamide
SMILESCN(C)C(=O)n1cnc(S(=O)(=O)N(C)c2ccccc2)n1
InChIInChI=1S/C12H15N5O3S/c1-15(2)12(18)17-9-13-11(14-17)21(19,20)16(3)10-7-5-4-6-8-10/h4-9H,1-3H3
InChIKeyUVPWRGZQCZCDHF-UHFFFAOYSA-N
MW309.35 g/mol
LogP0.63
Rot. Bonds3

About N,N-dimethyl-3-[methyl(phenyl)sulfamoyl]-1,2,4-triazole-1-carboxamide

N,N-dimethyl-3-[methyl(phenyl)sulfamoyl]-1,2,4-triazole-1-carboxamide (PubChem CID 71449144) has the molecular formula C12H15N5O3S and a molecular weight of 309.35 g/mol. Its IUPAC name is N,N-dimethyl-3-[methyl(phenyl)sulfamoyl]-1,2,4-triazole-1-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[methyl(phenyl)sulfamoyl]-1,2,4-triazole-1-carboxamide
PubChem CID71449144
Molecular FormulaC12H15N5O3S
Molecular Weight309.35 g/mol
Exact Mass309.09
IUPAC NameN,N-dimethyl-3-[methyl(phenyl)sulfamoyl]-1,2,4-triazole-1-carboxamide
SMILESCN(C)C(=O)n1cnc(S(=O)(=O)N(C)c2ccccc2)n1
InChIInChI=1S/C12H15N5O3S/c1-15(2)12(18)17-9-13-11(14-17)21(19,20)16(3)10-7-5-4-6-8-10/h4-9H,1-3H3
InChIKeyUVPWRGZQCZCDHF-UHFFFAOYSA-N
XLogP0.63
TPSA88.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[methyl(phenyl)sulfamoyl]-1,2,4-triazole-1-carboxamide?
The IUPAC name of N,N-dimethyl-3-[methyl(phenyl)sulfamoyl]-1,2,4-triazole-1-carboxamide (CID 71449144) is N,N-dimethyl-3-[methyl(phenyl)sulfamoyl]-1,2,4-triazole-1-carboxamide.
What is the SMILES notation for N,N-dimethyl-3-[methyl(phenyl)sulfamoyl]-1,2,4-triazole-1-carboxamide?
The canonical SMILES for N,N-dimethyl-3-[methyl(phenyl)sulfamoyl]-1,2,4-triazole-1-carboxamide is CN(C)C(=O)n1cnc(S(=O)(=O)N(C)c2ccccc2)n1.
What is the InChIKey of N,N-dimethyl-3-[methyl(phenyl)sulfamoyl]-1,2,4-triazole-1-carboxamide?
The InChIKey is UVPWRGZQCZCDHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O3S/c1-15(2)12(18)17-9-13-11(14-17)21(19,20)16(3)10-7-5-4-6-8-10/h4-9H,1-3H3.
What are the key properties of N,N-dimethyl-3-[methyl(phenyl)sulfamoyl]-1,2,4-triazole-1-carboxamide?
N,N-dimethyl-3-[methyl(phenyl)sulfamoyl]-1,2,4-triazole-1-carboxamide has a molecular weight of 309.35 g/mol, XLogP of 0.63, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[methyl(phenyl)sulfamoyl]-1,2,4-triazole-1-carboxamide is sourced from PubChem (CID 71449144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).