N-(benzenesulfonyl)-1-(3-chlorophenyl)imidazole-4-carboxamide

C16H12ClN3O3S — CID 139453099

IUPACN-(benzenesulfonyl)-1-(3-chlorophenyl)imidazole-4-carboxamide
SMILESO=C(NS(=O)(=O)c1ccccc1)c1cn(-c2cccc(Cl)c2)cn1
InChIInChI=1S/C16H12ClN3O3S/c17-12-5-4-6-13(9-12)20-10-15(18-11-20)16(21)19-24(22,23)14-7-2-1-3-8-14/h1-11H,(H,19,21)
InChIKeyLVZPDKIXXPCAIG-UHFFFAOYSA-N
MW361.81 g/mol
LogP2.64
Rot. Bonds4

About N-(benzenesulfonyl)-1-(3-chlorophenyl)imidazole-4-carboxamide

N-(benzenesulfonyl)-1-(3-chlorophenyl)imidazole-4-carboxamide (PubChem CID 139453099) has the molecular formula C16H12ClN3O3S and a molecular weight of 361.81 g/mol. Its IUPAC name is N-(benzenesulfonyl)-1-(3-chlorophenyl)imidazole-4-carboxamide.

Molecular Properties

Compound NameN-(benzenesulfonyl)-1-(3-chlorophenyl)imidazole-4-carboxamide
PubChem CID139453099
Molecular FormulaC16H12ClN3O3S
Molecular Weight361.81 g/mol
Exact Mass361.03
IUPAC NameN-(benzenesulfonyl)-1-(3-chlorophenyl)imidazole-4-carboxamide
SMILESO=C(NS(=O)(=O)c1ccccc1)c1cn(-c2cccc(Cl)c2)cn1
InChIInChI=1S/C16H12ClN3O3S/c17-12-5-4-6-13(9-12)20-10-15(18-11-20)16(21)19-24(22,23)14-7-2-1-3-8-14/h1-11H,(H,19,21)
InChIKeyLVZPDKIXXPCAIG-UHFFFAOYSA-N
XLogP2.64
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.81
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
1-(3-chlorophenyl)-N-methylsulfonylimidazole-4-carboxamide
CID 146154715
N-(benzenesulfonyl)-1-(3,5-dibromophenyl)imidazole-4-carboxamide
CID 139453191
N-(benzenesulfonyl)-1-[3-bromo-5-(trifluoromethyl)phenyl]imidazole-4-carboxamide
CID 139453195
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
1-(2,6-dichlorophenyl)-N-(2,6-dichlorophenyl)sulfonylimidazole-4-carboxamide
CID 139453158
N-(2-chlorophenyl)sulfonyl-1-[3-chloro-5-(trifluoromethyl)phenyl]imidazole-4-carboxamide
CID 139452977
N-(2,5-dichlorophenyl)sulfonyl-1-(2-fluorophenyl)imidazole-4-carboxamide
CID 139453060
N-(benzenesulfonyl)-3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 58628533

Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-1-(3-chlorophenyl)imidazole-4-carboxamide?
The IUPAC name of N-(benzenesulfonyl)-1-(3-chlorophenyl)imidazole-4-carboxamide (CID 139453099) is N-(benzenesulfonyl)-1-(3-chlorophenyl)imidazole-4-carboxamide.
What is the SMILES notation for N-(benzenesulfonyl)-1-(3-chlorophenyl)imidazole-4-carboxamide?
The canonical SMILES for N-(benzenesulfonyl)-1-(3-chlorophenyl)imidazole-4-carboxamide is O=C(NS(=O)(=O)c1ccccc1)c1cn(-c2cccc(Cl)c2)cn1.
What is the InChIKey of N-(benzenesulfonyl)-1-(3-chlorophenyl)imidazole-4-carboxamide?
The InChIKey is LVZPDKIXXPCAIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3O3S/c17-12-5-4-6-13(9-12)20-10-15(18-11-20)16(21)19-24(22,23)14-7-2-1-3-8-14/h1-11H,(H,19,21).
What are the key properties of N-(benzenesulfonyl)-1-(3-chlorophenyl)imidazole-4-carboxamide?
N-(benzenesulfonyl)-1-(3-chlorophenyl)imidazole-4-carboxamide has a molecular weight of 361.81 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonyl)-1-(3-chlorophenyl)imidazole-4-carboxamide is sourced from PubChem (CID 139453099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).