N-(benzenesulfonyl)-2-(2-chlorophenyl)-1-methylimidazole-4-carboxamide

C17H14ClN3O3S — CID 155116240

IUPACN-(benzenesulfonyl)-2-(2-chlorophenyl)-1-methylimidazole-4-carboxamide
SMILESCn1cc(C(=O)NS(=O)(=O)c2ccccc2)nc1-c1ccccc1Cl
InChIInChI=1S/C17H14ClN3O3S/c1-21-11-15(19-16(21)13-9-5-6-10-14(13)18)17(22)20-25(23,24)12-7-3-2-4-8-12/h2-11H,1H3,(H,20,22)
InChIKeyNSUCQBKCWDUYMQ-UHFFFAOYSA-N
MW375.84 g/mol
LogP2.86
Rot. Bonds4

About N-(benzenesulfonyl)-2-(2-chlorophenyl)-1-methylimidazole-4-carboxamide

N-(benzenesulfonyl)-2-(2-chlorophenyl)-1-methylimidazole-4-carboxamide (PubChem CID 155116240) has the molecular formula C17H14ClN3O3S and a molecular weight of 375.84 g/mol. Its IUPAC name is N-(benzenesulfonyl)-2-(2-chlorophenyl)-1-methylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(benzenesulfonyl)-2-(2-chlorophenyl)-1-methylimidazole-4-carboxamide
PubChem CID155116240
Molecular FormulaC17H14ClN3O3S
Molecular Weight375.84 g/mol
Exact Mass375.04
IUPAC NameN-(benzenesulfonyl)-2-(2-chlorophenyl)-1-methylimidazole-4-carboxamide
SMILESCn1cc(C(=O)NS(=O)(=O)c2ccccc2)nc1-c1ccccc1Cl
InChIInChI=1S/C17H14ClN3O3S/c1-21-11-15(19-16(21)13-9-5-6-10-14(13)18)17(22)20-25(23,24)12-7-3-2-4-8-12/h2-11H,1H3,(H,20,22)
InChIKeyNSUCQBKCWDUYMQ-UHFFFAOYSA-N
XLogP2.86
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.84
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-chlorophenyl)-N-(2-iodophenyl)sulfonyl-1-methylimidazole-4-carboxamide
CID 155116564
N-(benzenesulfonyl)-2-(2-chloro-6-fluorophenyl)-1-methylimidazole-4-carboxamide
CID 147509340
2-(2-chlorophenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-1-methylimidazole-4-carboxamide
CID 152842079
N-(2-chlorophenyl)sulfonyl-2-(2-ethylsulfonylphenyl)-1-methylimidazole-4-carboxamide
CID 155116421
N-(2-chlorophenyl)sulfonyl-1-methyl-2-naphthalen-1-ylimidazole-4-carboxamide
CID 146335135
2-(2,3-dichlorophenyl)-1-methyl-N-(2-methylphenyl)sulfonylimidazole-4-carboxamide
CID 130437812
N-(2,6-dichlorophenyl)sulfonyl-2-(2,6-difluorophenyl)-1-methylimidazole-4-carboxamide
CID 147083151
N-(3,4-dichlorophenyl)sulfonyl-2-(2,6-difluorophenyl)-1-methylimidazole-4-carboxamide
CID 148864284
N-(2-chloro-5-methoxyphenyl)sulfonyl-2-(2,3-dichlorophenyl)-1-methylimidazole-4-carboxamide
CID 155116595
2-(2-chlorophenyl)-1-ethyl-N-ethylsulfonylimidazole-4-carboxamide
CID 155116177
2-(2,3-dichlorophenyl)-N-(2,5-dimethoxyphenyl)sulfonyl-1-methylimidazole-4-carboxamide
CID 130437691
N-(2-chloro-6-methylsulfanylphenyl)sulfonyl-2-(2,6-difluorophenyl)-1-methylimidazole-4-carboxamide
CID 155116121

Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-2-(2-chlorophenyl)-1-methylimidazole-4-carboxamide?
The IUPAC name of N-(benzenesulfonyl)-2-(2-chlorophenyl)-1-methylimidazole-4-carboxamide (CID 155116240) is N-(benzenesulfonyl)-2-(2-chlorophenyl)-1-methylimidazole-4-carboxamide.
What is the SMILES notation for N-(benzenesulfonyl)-2-(2-chlorophenyl)-1-methylimidazole-4-carboxamide?
The canonical SMILES for N-(benzenesulfonyl)-2-(2-chlorophenyl)-1-methylimidazole-4-carboxamide is Cn1cc(C(=O)NS(=O)(=O)c2ccccc2)nc1-c1ccccc1Cl.
What is the InChIKey of N-(benzenesulfonyl)-2-(2-chlorophenyl)-1-methylimidazole-4-carboxamide?
The InChIKey is NSUCQBKCWDUYMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O3S/c1-21-11-15(19-16(21)13-9-5-6-10-14(13)18)17(22)20-25(23,24)12-7-3-2-4-8-12/h2-11H,1H3,(H,20,22).
What are the key properties of N-(benzenesulfonyl)-2-(2-chlorophenyl)-1-methylimidazole-4-carboxamide?
N-(benzenesulfonyl)-2-(2-chlorophenyl)-1-methylimidazole-4-carboxamide has a molecular weight of 375.84 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonyl)-2-(2-chlorophenyl)-1-methylimidazole-4-carboxamide is sourced from PubChem (CID 155116240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).