1-(3-chlorophenyl)-N-methylsulfonylimidazole-4-carboxamide

C11H10ClN3O3S — CID 146154715

IUPAC1-(3-chlorophenyl)-N-methylsulfonylimidazole-4-carboxamide
SMILESCS(=O)(=O)NC(=O)c1cn(-c2cccc(Cl)c2)cn1
InChIInChI=1S/C11H10ClN3O3S/c1-19(17,18)14-11(16)10-6-15(7-13-10)9-4-2-3-8(12)5-9/h2-7H,1H3,(H,14,16)
InChIKeyNHUJZXLTMJQCPQ-UHFFFAOYSA-N
MW299.74 g/mol
LogP1.22
Rot. Bonds3

About 1-(3-chlorophenyl)-N-methylsulfonylimidazole-4-carboxamide

1-(3-chlorophenyl)-N-methylsulfonylimidazole-4-carboxamide (PubChem CID 146154715) has the molecular formula C11H10ClN3O3S and a molecular weight of 299.74 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-methylsulfonylimidazole-4-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-methylsulfonylimidazole-4-carboxamide
PubChem CID146154715
Molecular FormulaC11H10ClN3O3S
Molecular Weight299.74 g/mol
Exact Mass299.01
IUPAC Name1-(3-chlorophenyl)-N-methylsulfonylimidazole-4-carboxamide
SMILESCS(=O)(=O)NC(=O)c1cn(-c2cccc(Cl)c2)cn1
InChIInChI=1S/C11H10ClN3O3S/c1-19(17,18)14-11(16)10-6-15(7-13-10)9-4-2-3-8(12)5-9/h2-7H,1H3,(H,14,16)
InChIKeyNHUJZXLTMJQCPQ-UHFFFAOYSA-N
XLogP1.22
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.74
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(benzenesulfonyl)-1-(3-chlorophenyl)imidazole-4-carboxamide
CID 139453099
N-(benzenesulfonyl)-1-(3,5-dichlorophenyl)imidazole-4-carboxamide
CID 139453021
N-(benzenesulfonyl)-1-(3,4,5-trichlorophenyl)imidazole-4-carboxamide
CID 139453257
N-(benzenesulfonyl)-1-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide
CID 139453020
N-(2,5-dichlorophenyl)sulfonyl-1-(2-fluorophenyl)imidazole-4-carboxamide
CID 139453060
1-(2,6-dichlorophenyl)-N-(2,6-dichlorophenyl)sulfonylimidazole-4-carboxamide
CID 139453158
1-(4-bromo-3,5-dichlorophenyl)-N-(2-chlorophenyl)sulfonylimidazole-4-carboxamide
CID 139453276
N-(2-chlorophenyl)sulfonyl-1-(2,6-dichlorophenyl)imidazole-4-carboxamide
CID 139453065
N-(3-chlorophenyl)-1-[6-(dimethylamino)pyrimidin-4-yl]imidazole-4-carboxamide
CID 53172146
N-[2-(cyclopropylamino)-6-fluorophenyl]sulfonyl-1-(3,5-dichlorophenyl)imidazole-4-carboxamide
CID 139453339
N-methylsulfonylpyridine-2-carboxamide
CID 14952705
methyl (3R)-3-[1-(3-chlorophenyl)imidazol-4-yl]butanoate
CID 174524375

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-methylsulfonylimidazole-4-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-N-methylsulfonylimidazole-4-carboxamide (CID 146154715) is 1-(3-chlorophenyl)-N-methylsulfonylimidazole-4-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-N-methylsulfonylimidazole-4-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-N-methylsulfonylimidazole-4-carboxamide is CS(=O)(=O)NC(=O)c1cn(-c2cccc(Cl)c2)cn1.
What is the InChIKey of 1-(3-chlorophenyl)-N-methylsulfonylimidazole-4-carboxamide?
The InChIKey is NHUJZXLTMJQCPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O3S/c1-19(17,18)14-11(16)10-6-15(7-13-10)9-4-2-3-8(12)5-9/h2-7H,1H3,(H,14,16).
What are the key properties of 1-(3-chlorophenyl)-N-methylsulfonylimidazole-4-carboxamide?
1-(3-chlorophenyl)-N-methylsulfonylimidazole-4-carboxamide has a molecular weight of 299.74 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-methylsulfonylimidazole-4-carboxamide is sourced from PubChem (CID 146154715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).