N-(3-methylsulfonylphenyl)-1H-imidazole-2-carboxamide

C11H11N3O3S — CID 110466603

IUPACN-(3-methylsulfonylphenyl)-1H-imidazole-2-carboxamide
SMILESCS(=O)(=O)c1cccc(NC(=O)c2ncc[nH]2)c1
InChIInChI=1S/C11H11N3O3S/c1-18(16,17)9-4-2-3-8(7-9)14-11(15)10-12-5-6-13-10/h2-7H,1H3,(H,12,13)(H,14,15)
InChIKeySMXWQQIOYDGDBN-UHFFFAOYSA-N
MW265.29 g/mol
LogP1.07
Rot. Bonds3

About N-(3-methylsulfonylphenyl)-1H-imidazole-2-carboxamide

N-(3-methylsulfonylphenyl)-1H-imidazole-2-carboxamide (PubChem CID 110466603) has the molecular formula C11H11N3O3S and a molecular weight of 265.29 g/mol. Its IUPAC name is N-(3-methylsulfonylphenyl)-1H-imidazole-2-carboxamide.

Molecular Properties

Compound NameN-(3-methylsulfonylphenyl)-1H-imidazole-2-carboxamide
PubChem CID110466603
Molecular FormulaC11H11N3O3S
Molecular Weight265.29 g/mol
Exact Mass265.05
IUPAC NameN-(3-methylsulfonylphenyl)-1H-imidazole-2-carboxamide
SMILESCS(=O)(=O)c1cccc(NC(=O)c2ncc[nH]2)c1
InChIInChI=1S/C11H11N3O3S/c1-18(16,17)9-4-2-3-8(7-9)14-11(15)10-12-5-6-13-10/h2-7H,1H3,(H,12,13)(H,14,15)
InChIKeySMXWQQIOYDGDBN-UHFFFAOYSA-N
XLogP1.07
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(3-methylsulfonylphenyl)-1H-imidazole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1H-imidazol-2-yl)-3-methylsulfonylbenzamide
CID 60968772
(3-methylsulfonylphenyl)carbamothioic S-acid
CID 87640544
5-amino-N-(3-methylsulfonylphenyl)pyridine-2-carboxamide
CID 81317410
N-(3-methylsulfonylphenyl)-2H-triazole-4-carboxamide
CID 47338227
5-chloro-N-(3-methylsulfonylphenyl)pyrazine-2-carboxamide
CID 103803477
2-(aminomethyl)-N-(3-methylsulfonylphenyl)pyridine-4-carboxamide
CID 114325907
6-chloro-N-(3-methylsulfonylphenyl)pyridine-3-carboxamide
CID 9071047
2-(difluoromethylsulfanyl)-N-(3-methylsulfonylphenyl)pyridine-3-carboxamide
CID 134013198
3-methyl-N-(3-methylsulfonylphenyl)benzamide
CID 17416178
1-methyl-N-(3-methylsulfonylphenyl)triazole-4-carboxamide
CID 110461981
N-[3-(3,5-dicyano-2,6-dimethyl-1,4-dihydropyridin-4-yl)phenyl]-1H-imidazole-2-carboxamide
CID 69272075
2-fluoro-3-methyl-N-(3-methylsulfonylphenyl)benzamide
CID 80710690

Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfonylphenyl)-1H-imidazole-2-carboxamide?
The IUPAC name of N-(3-methylsulfonylphenyl)-1H-imidazole-2-carboxamide (CID 110466603) is N-(3-methylsulfonylphenyl)-1H-imidazole-2-carboxamide.
What is the SMILES notation for N-(3-methylsulfonylphenyl)-1H-imidazole-2-carboxamide?
The canonical SMILES for N-(3-methylsulfonylphenyl)-1H-imidazole-2-carboxamide is CS(=O)(=O)c1cccc(NC(=O)c2ncc[nH]2)c1.
What is the InChIKey of N-(3-methylsulfonylphenyl)-1H-imidazole-2-carboxamide?
The InChIKey is SMXWQQIOYDGDBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3S/c1-18(16,17)9-4-2-3-8(7-9)14-11(15)10-12-5-6-13-10/h2-7H,1H3,(H,12,13)(H,14,15).
What are the key properties of N-(3-methylsulfonylphenyl)-1H-imidazole-2-carboxamide?
N-(3-methylsulfonylphenyl)-1H-imidazole-2-carboxamide has a molecular weight of 265.29 g/mol, XLogP of 1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfonylphenyl)-1H-imidazole-2-carboxamide is sourced from PubChem (CID 110466603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).