N-(benzenesulfonyl)-1-[(2-chloro-4-methoxyphenyl)methyl]-2-methylimidazole-4-carboxamide

C19H18ClN3O4S — CID 57001214

IUPACN-(benzenesulfonyl)-1-[(2-chloro-4-methoxyphenyl)methyl]-2-methylimidazole-4-carboxamide
SMILESCOc1ccc(Cn2cc(C(=O)NS(=O)(=O)c3ccccc3)nc2C)c(Cl)c1
InChIInChI=1S/C19H18ClN3O4S/c1-13-21-18(19(24)22-28(25,26)16-6-4-3-5-7-16)12-23(13)11-14-8-9-15(27-2)10-17(14)20/h3-10,12H,11H2,1-2H3,(H,22,24)
InChIKeyAAGVAVZJLGPSHX-UHFFFAOYSA-N
MW419.89 g/mol
LogP3.02
Rot. Bonds6

About N-(benzenesulfonyl)-1-[(2-chloro-4-methoxyphenyl)methyl]-2-methylimidazole-4-carboxamide

N-(benzenesulfonyl)-1-[(2-chloro-4-methoxyphenyl)methyl]-2-methylimidazole-4-carboxamide (PubChem CID 57001214) has the molecular formula C19H18ClN3O4S and a molecular weight of 419.89 g/mol. Its IUPAC name is N-(benzenesulfonyl)-1-[(2-chloro-4-methoxyphenyl)methyl]-2-methylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(benzenesulfonyl)-1-[(2-chloro-4-methoxyphenyl)methyl]-2-methylimidazole-4-carboxamide
PubChem CID57001214
Molecular FormulaC19H18ClN3O4S
Molecular Weight419.89 g/mol
Exact Mass419.07
IUPAC NameN-(benzenesulfonyl)-1-[(2-chloro-4-methoxyphenyl)methyl]-2-methylimidazole-4-carboxamide
SMILESCOc1ccc(Cn2cc(C(=O)NS(=O)(=O)c3ccccc3)nc2C)c(Cl)c1
InChIInChI=1S/C19H18ClN3O4S/c1-13-21-18(19(24)22-28(25,26)16-6-4-3-5-7-16)12-23(13)11-14-8-9-15(27-2)10-17(14)20/h3-10,12H,11H2,1-2H3,(H,22,24)
InChIKeyAAGVAVZJLGPSHX-UHFFFAOYSA-N
XLogP3.02
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.89
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(benzenesulfonyl)-1-[[2-chloro-4-(2-methylpropyl)phenyl]methyl]-2-methylimidazole-4-carboxamide
CID 57024268
N-(benzenesulfonyl)-1-[[2-chloro-4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]methyl]-2-methylimidazole-4-carboxamide
CID 57112139
N-(benzenesulfonyl)-1-[(2-bromo-4-chlorophenyl)methyl]-2-methylimidazole-4-carboxamide
CID 57191039
N-(benzenesulfonyl)-1-[(2,5-dichlorothiophen-3-yl)methyl]-2-methylimidazole-4-carboxamide
CID 57055043
N-(5-chlorothiophen-2-yl)sulfonyl-1-[(2,4-dichlorophenyl)methyl]-2-methylimidazole-4-carboxamide
CID 57171958
N-[2-(2-chloro-4-methoxyphenyl)ethyl]benzenesulfonamide
CID 110789779
3-[(2-chloro-4-phenylmethoxyphenyl)methyl]-2-methyl-N-(4-methylphenyl)sulfonylimidazo[4,5-b]pyridine-5-carboxamide
CID 22388186
N-(benzenesulfonyl)-3-[(4-bromo-2-chlorophenyl)methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxamide
CID 22388532
N-(benzenesulfonyl)-2-(2-chlorophenyl)-1-methylimidazole-4-carboxamide
CID 155116240
N-(benzenesulfonyl)-3-[(2-chloro-4-nitrophenyl)methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxamide
CID 22388457
3-[[2-chloro-4-(2-phenylethynyl)phenyl]methyl]-2,7-dimethyl-N-(4-methylphenyl)sulfonylimidazo[4,5-b]pyridine-5-carboxamide
CID 22485070
N-(benzenesulfonyl)-2-(2-chloro-6-fluorophenyl)-1-methylimidazole-4-carboxamide
CID 147509340

Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-1-[(2-chloro-4-methoxyphenyl)methyl]-2-methylimidazole-4-carboxamide?
The IUPAC name of N-(benzenesulfonyl)-1-[(2-chloro-4-methoxyphenyl)methyl]-2-methylimidazole-4-carboxamide (CID 57001214) is N-(benzenesulfonyl)-1-[(2-chloro-4-methoxyphenyl)methyl]-2-methylimidazole-4-carboxamide.
What is the SMILES notation for N-(benzenesulfonyl)-1-[(2-chloro-4-methoxyphenyl)methyl]-2-methylimidazole-4-carboxamide?
The canonical SMILES for N-(benzenesulfonyl)-1-[(2-chloro-4-methoxyphenyl)methyl]-2-methylimidazole-4-carboxamide is COc1ccc(Cn2cc(C(=O)NS(=O)(=O)c3ccccc3)nc2C)c(Cl)c1.
What is the InChIKey of N-(benzenesulfonyl)-1-[(2-chloro-4-methoxyphenyl)methyl]-2-methylimidazole-4-carboxamide?
The InChIKey is AAGVAVZJLGPSHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O4S/c1-13-21-18(19(24)22-28(25,26)16-6-4-3-5-7-16)12-23(13)11-14-8-9-15(27-2)10-17(14)20/h3-10,12H,11H2,1-2H3,(H,22,24).
What are the key properties of N-(benzenesulfonyl)-1-[(2-chloro-4-methoxyphenyl)methyl]-2-methylimidazole-4-carboxamide?
N-(benzenesulfonyl)-1-[(2-chloro-4-methoxyphenyl)methyl]-2-methylimidazole-4-carboxamide has a molecular weight of 419.89 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonyl)-1-[(2-chloro-4-methoxyphenyl)methyl]-2-methylimidazole-4-carboxamide is sourced from PubChem (CID 57001214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).