N-(1H-imidazol-2-yl)-3-methylsulfonylbenzamide

C11H11N3O3S — CID 60968772

IUPACN-(1H-imidazol-2-yl)-3-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1cccc(C(=O)Nc2ncc[nH]2)c1
InChIInChI=1S/C11H11N3O3S/c1-18(16,17)9-4-2-3-8(7-9)10(15)14-11-12-5-6-13-11/h2-7H,1H3,(H2,12,13,14,15)
InChIKeyNVOAJKRNQQCVEY-UHFFFAOYSA-N
MW265.29 g/mol
LogP1.07
Rot. Bonds3

About N-(1H-imidazol-2-yl)-3-methylsulfonylbenzamide

N-(1H-imidazol-2-yl)-3-methylsulfonylbenzamide (PubChem CID 60968772) has the molecular formula C11H11N3O3S and a molecular weight of 265.29 g/mol. Its IUPAC name is N-(1H-imidazol-2-yl)-3-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-(1H-imidazol-2-yl)-3-methylsulfonylbenzamide
PubChem CID60968772
Molecular FormulaC11H11N3O3S
Molecular Weight265.29 g/mol
Exact Mass265.05
IUPAC NameN-(1H-imidazol-2-yl)-3-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1cccc(C(=O)Nc2ncc[nH]2)c1
InChIInChI=1S/C11H11N3O3S/c1-18(16,17)9-4-2-3-8(7-9)10(15)14-11-12-5-6-13-11/h2-7H,1H3,(H2,12,13,14,15)
InChIKeyNVOAJKRNQQCVEY-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-(1H-imidazol-2-yl)-3-methylsulfonylbenzamide 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

3-methylsulfonyl-N-(1H-pyrazol-5-yl)benzamide
CID 60580034
N-(3-methylsulfonylphenyl)-1H-imidazole-2-carboxamide
CID 110466603
N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-methylsulfonylbenzamide
CID 115594880
N-hydroxy-3-methylsulfonylbenzamide
CID 24692724
N-[2-(1H-imidazol-2-yl)-1-phenylethyl]-3-methylsulfonylbenzamide
CID 17486679
N-(4-methyl-1H-pyrazol-5-yl)-3-methylsulfonylbenzamide
CID 112691143
N-(2-bromo-3-chlorophenyl)-3-methylsulfonylbenzamide
CID 103480003
N-(1H-imidazol-2-yl)-3-propanoylbenzenesulfonamide
CID 63563189
N-bromo-3-methylsulfonylbenzamide
CID 174925666
N-(3-hydroxy-2-methylphenyl)-3-methylsulfonylbenzamide
CID 64792707
N-(3-iodophenyl)-3-methylsulfonylbenzamide
CID 16545735
3-methylsulfonyl-N-(4-sulfamoylphenyl)benzamide
CID 7565696

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-yl)-3-methylsulfonylbenzamide?
The IUPAC name of N-(1H-imidazol-2-yl)-3-methylsulfonylbenzamide (CID 60968772) is N-(1H-imidazol-2-yl)-3-methylsulfonylbenzamide.
What is the SMILES notation for N-(1H-imidazol-2-yl)-3-methylsulfonylbenzamide?
The canonical SMILES for N-(1H-imidazol-2-yl)-3-methylsulfonylbenzamide is CS(=O)(=O)c1cccc(C(=O)Nc2ncc[nH]2)c1.
What is the InChIKey of N-(1H-imidazol-2-yl)-3-methylsulfonylbenzamide?
The InChIKey is NVOAJKRNQQCVEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3S/c1-18(16,17)9-4-2-3-8(7-9)10(15)14-11-12-5-6-13-11/h2-7H,1H3,(H2,12,13,14,15).
What are the key properties of N-(1H-imidazol-2-yl)-3-methylsulfonylbenzamide?
N-(1H-imidazol-2-yl)-3-methylsulfonylbenzamide 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-(1H-imidazol-2-yl)-3-methylsulfonylbenzamide is sourced from PubChem (CID 60968772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).