N-(3-methylsulfonylphenyl)-2H-triazole-4-carboxamide

C10H10N4O3S — CID 47338227

IUPACN-(3-methylsulfonylphenyl)-2H-triazole-4-carboxamide
SMILESCS(=O)(=O)c1cccc(NC(=O)c2cn[nH]n2)c1
InChIInChI=1S/C10H10N4O3S/c1-18(16,17)8-4-2-3-7(5-8)12-10(15)9-6-11-14-13-9/h2-6H,1H3,(H,12,15)(H,11,13,14)
InChIKeyLHUJBMGLDGILEZ-UHFFFAOYSA-N
MW266.28 g/mol
LogP0.46
Rot. Bonds3

About N-(3-methylsulfonylphenyl)-2H-triazole-4-carboxamide

N-(3-methylsulfonylphenyl)-2H-triazole-4-carboxamide (PubChem CID 47338227) has the molecular formula C10H10N4O3S and a molecular weight of 266.28 g/mol. Its IUPAC name is N-(3-methylsulfonylphenyl)-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-methylsulfonylphenyl)-2H-triazole-4-carboxamide
PubChem CID47338227
Molecular FormulaC10H10N4O3S
Molecular Weight266.28 g/mol
Exact Mass266.05
IUPAC NameN-(3-methylsulfonylphenyl)-2H-triazole-4-carboxamide
SMILESCS(=O)(=O)c1cccc(NC(=O)c2cn[nH]n2)c1
InChIInChI=1S/C10H10N4O3S/c1-18(16,17)8-4-2-3-7(5-8)12-10(15)9-6-11-14-13-9/h2-6H,1H3,(H,12,15)(H,11,13,14)
InChIKeyLHUJBMGLDGILEZ-UHFFFAOYSA-N
XLogP0.46
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.28
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(sulfamoylamino)phenyl]-2H-triazole-4-carboxamide
CID 113226196
N-(3-iodophenyl)-2H-triazole-4-carboxamide
CID 47338141
5-amino-N-(3-methylsulfonylphenyl)pyridine-2-carboxamide
CID 81317410
5-chloro-N-(3-methylsulfonylphenyl)pyrazine-2-carboxamide
CID 103803477
N-[3-[methyl(propan-2-yl)amino]phenyl]-2H-triazole-4-carboxamide
CID 56785425
N-[3-(aminomethyl)phenyl]-2H-triazole-4-carboxamide
CID 63283245
(3-methylsulfonylphenyl)carbamothioic S-acid
CID 87640544
1-methyl-N-(3-methylsulfonylphenyl)triazole-4-carboxamide
CID 110461981
N-(3,4-dimethylphenyl)-2H-triazole-4-carboxamide
CID 47334767
6-chloro-N-(3-methylsulfonylphenyl)pyridine-3-carboxamide
CID 9071047
N-[3-[[(S)-benzylsulfinyl]methyl]phenyl]-2H-triazole-4-carboxamide
CID 95770554
N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2H-triazole-4-carboxamide
CID 164648639

Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfonylphenyl)-2H-triazole-4-carboxamide?
The IUPAC name of N-(3-methylsulfonylphenyl)-2H-triazole-4-carboxamide (CID 47338227) is N-(3-methylsulfonylphenyl)-2H-triazole-4-carboxamide.
What is the SMILES notation for N-(3-methylsulfonylphenyl)-2H-triazole-4-carboxamide?
The canonical SMILES for N-(3-methylsulfonylphenyl)-2H-triazole-4-carboxamide is CS(=O)(=O)c1cccc(NC(=O)c2cn[nH]n2)c1.
What is the InChIKey of N-(3-methylsulfonylphenyl)-2H-triazole-4-carboxamide?
The InChIKey is LHUJBMGLDGILEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O3S/c1-18(16,17)8-4-2-3-7(5-8)12-10(15)9-6-11-14-13-9/h2-6H,1H3,(H,12,15)(H,11,13,14).
What are the key properties of N-(3-methylsulfonylphenyl)-2H-triazole-4-carboxamide?
N-(3-methylsulfonylphenyl)-2H-triazole-4-carboxamide has a molecular weight of 266.28 g/mol, XLogP of 0.46, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfonylphenyl)-2H-triazole-4-carboxamide is sourced from PubChem (CID 47338227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).