2-(2-chloro-6-fluorophenyl)-N-(2-chloro-5-methoxyphenyl)sulfonyl-5-methyl-1H-imidazole-4-carboxamide

C18H14Cl2FN3O4S — CID 130437896

IUPAC2-(2-chloro-6-fluorophenyl)-N-(2-chloro-5-methoxyphenyl)sulfonyl-5-methyl-1H-imidazole-4-carboxamide
SMILESCOc1ccc(Cl)c(S(=O)(=O)NC(=O)c2nc(-c3c(F)cccc3Cl)[nH]c2C)c1
InChIInChI=1S/C18H14Cl2FN3O4S/c1-9-16(23-17(22-9)15-12(20)4-3-5-13(15)21)18(25)24-29(26,27)14-8-10(28-2)6-7-11(14)19/h3-8H,1-2H3,(H,22,23)(H,24,25)
InChIKeyUHDQYNJOFKEECT-UHFFFAOYSA-N
MW458.30 g/mol
LogP3.96
Rot. Bonds5

About 2-(2-chloro-6-fluorophenyl)-N-(2-chloro-5-methoxyphenyl)sulfonyl-5-methyl-1H-imidazole-4-carboxamide

2-(2-chloro-6-fluorophenyl)-N-(2-chloro-5-methoxyphenyl)sulfonyl-5-methyl-1H-imidazole-4-carboxamide (PubChem CID 130437896) has the molecular formula C18H14Cl2FN3O4S and a molecular weight of 458.30 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-N-(2-chloro-5-methoxyphenyl)sulfonyl-5-methyl-1H-imidazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-N-(2-chloro-5-methoxyphenyl)sulfonyl-5-methyl-1H-imidazole-4-carboxamide
PubChem CID130437896
Molecular FormulaC18H14Cl2FN3O4S
Molecular Weight458.30 g/mol
Exact Mass457.01
IUPAC Name2-(2-chloro-6-fluorophenyl)-N-(2-chloro-5-methoxyphenyl)sulfonyl-5-methyl-1H-imidazole-4-carboxamide
SMILESCOc1ccc(Cl)c(S(=O)(=O)NC(=O)c2nc(-c3c(F)cccc3Cl)[nH]c2C)c1
InChIInChI=1S/C18H14Cl2FN3O4S/c1-9-16(23-17(22-9)15-12(20)4-3-5-13(15)21)18(25)24-29(26,27)14-8-10(28-2)6-7-11(14)19/h3-8H,1-2H3,(H,22,23)(H,24,25)
InChIKeyUHDQYNJOFKEECT-UHFFFAOYSA-N
XLogP3.96
TPSA101.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.30
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(2-chloro-6-fluorophenyl)-N-(2-chloro-5-methoxyphenyl)sulfonyl-5-methyl-1H-imidazole-4-carboxamide 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

N-(2-chloro-5-methoxyphenyl)sulfonyl-2-(2-fluorophenyl)-5-methyl-1H-imidazole-4-carboxamide
CID 130437700
3-(2-chloro-5-methoxyphenyl)sulfonyl-1-[2-(2,6-difluorophenyl)-1H-imidazol-5-yl]-2-iminopropan-1-one
CID 130437803
3-(2-Chloro-5-methoxyphenyl)sulfonyl-1-[2-(2-fluoro-6-methylphenyl)-1,5-dimethylimidazol-4-yl]-2-iminopropan-1-one
CID 130437873
2-(2-chloro-6-fluorophenyl)-N-(2-chlorophenyl)sulfonyl-5-methyl-1H-imidazole-4-carboxamide
CID 130437898
N-(2-chloro-5-methoxyphenyl)sulfonyl-1-(3,5-dichlorophenyl)-5-fluoro-2-methylimidazole-4-carboxamide
CID 139451164
N-(2-chloro-5-methoxyphenyl)sulfonyl-1-[(2,6-difluorophenyl)methyl]imidazole-4-carboxamide
CID 139451192
2-(2-chloro-5-methoxyphenyl)sulfonyl-1-[2-(2,6-difluorophenyl)-1H-imidazol-5-yl]prop-2-en-1-one
CID 146335016
N-(2-chloro-5-methoxyphenyl)sulfonyl-4-(2,6-difluorophenyl)-5-methyl-1H-imidazole-2-carboxamide
CID 147855937
2-(2-chloro-6-fluorophenyl)-N-(2-methoxyphenyl)sulfonyl-1-methylimidazole-4-carboxamide
CID 148762909
2-(2-chloro-6-fluorophenyl)-N-(2-fluoro-5-methoxyphenyl)sulfonyl-1-methylimidazole-4-carboxamide
CID 155116074
N-(2-chloro-5-methoxyphenyl)sulfonyl-2-(2,4-difluorophenyl)-5-ethyl-1H-imidazole-4-carboxamide
CID 155116079
N-(2-chloro-5-propoxyphenyl)sulfonyl-2-(2,6-difluorophenyl)-1-methylimidazole-4-carboxamide
CID 155116091

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-(2-chloro-5-methoxyphenyl)sulfonyl-5-methyl-1H-imidazole-4-carboxamide?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-(2-chloro-5-methoxyphenyl)sulfonyl-5-methyl-1H-imidazole-4-carboxamide (CID 130437896) is 2-(2-chloro-6-fluorophenyl)-N-(2-chloro-5-methoxyphenyl)sulfonyl-5-methyl-1H-imidazole-4-carboxamide.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-N-(2-chloro-5-methoxyphenyl)sulfonyl-5-methyl-1H-imidazole-4-carboxamide?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-N-(2-chloro-5-methoxyphenyl)sulfonyl-5-methyl-1H-imidazole-4-carboxamide is COc1ccc(Cl)c(S(=O)(=O)NC(=O)c2nc(-c3c(F)cccc3Cl)[nH]c2C)c1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-N-(2-chloro-5-methoxyphenyl)sulfonyl-5-methyl-1H-imidazole-4-carboxamide?
The InChIKey is UHDQYNJOFKEECT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2FN3O4S/c1-9-16(23-17(22-9)15-12(20)4-3-5-13(15)21)18(25)24-29(26,27)14-8-10(28-2)6-7-11(14)19/h3-8H,1-2H3,(H,22,23)(H,24,25).
What are the key properties of 2-(2-chloro-6-fluorophenyl)-N-(2-chloro-5-methoxyphenyl)sulfonyl-5-methyl-1H-imidazole-4-carboxamide?
2-(2-chloro-6-fluorophenyl)-N-(2-chloro-5-methoxyphenyl)sulfonyl-5-methyl-1H-imidazole-4-carboxamide has a molecular weight of 458.30 g/mol, XLogP of 3.96, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-N-(2-chloro-5-methoxyphenyl)sulfonyl-5-methyl-1H-imidazole-4-carboxamide is sourced from PubChem (CID 130437896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).