N-(2-chloro-5-methoxyphenyl)sulfonyl-1-(3,5-difluorophenyl)-2-methylimidazole-4-carboxamide

C18H14ClF2N3O4S — CID 139453113

IUPACN-(2-chloro-5-methoxyphenyl)sulfonyl-1-(3,5-difluorophenyl)-2-methylimidazole-4-carboxamide
SMILESCOc1ccc(Cl)c(S(=O)(=O)NC(=O)c2cn(-c3cc(F)cc(F)c3)c(C)n2)c1
InChIInChI=1S/C18H14ClF2N3O4S/c1-10-22-16(9-24(10)13-6-11(20)5-12(21)7-13)18(25)23-29(26,27)17-8-14(28-2)3-4-15(17)19/h3-9H,1-2H3,(H,23,25)
InChIKeyAQPIDZXYIINZIZ-UHFFFAOYSA-N
MW441.84 g/mol
LogP3.24
Rot. Bonds5

About N-(2-chloro-5-methoxyphenyl)sulfonyl-1-(3,5-difluorophenyl)-2-methylimidazole-4-carboxamide

N-(2-chloro-5-methoxyphenyl)sulfonyl-1-(3,5-difluorophenyl)-2-methylimidazole-4-carboxamide (PubChem CID 139453113) has the molecular formula C18H14ClF2N3O4S and a molecular weight of 441.84 g/mol. Its IUPAC name is N-(2-chloro-5-methoxyphenyl)sulfonyl-1-(3,5-difluorophenyl)-2-methylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-5-methoxyphenyl)sulfonyl-1-(3,5-difluorophenyl)-2-methylimidazole-4-carboxamide
PubChem CID139453113
Molecular FormulaC18H14ClF2N3O4S
Molecular Weight441.84 g/mol
Exact Mass441.04
IUPAC NameN-(2-chloro-5-methoxyphenyl)sulfonyl-1-(3,5-difluorophenyl)-2-methylimidazole-4-carboxamide
SMILESCOc1ccc(Cl)c(S(=O)(=O)NC(=O)c2cn(-c3cc(F)cc(F)c3)c(C)n2)c1
InChIInChI=1S/C18H14ClF2N3O4S/c1-10-22-16(9-24(10)13-6-11(20)5-12(21)7-13)18(25)23-29(26,27)17-8-14(28-2)3-4-15(17)19/h3-9H,1-2H3,(H,23,25)
InChIKeyAQPIDZXYIINZIZ-UHFFFAOYSA-N
XLogP3.24
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.84
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(2-chloro-5-methoxyphenyl)sulfonyl-1-(3,5-difluorophenyl)-2-methylimidazole-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

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-methoxyphenyl)sulfonyl-1-(3,5-difluorophenyl)-2-methylimidazole-4-carboxamide?
The IUPAC name of N-(2-chloro-5-methoxyphenyl)sulfonyl-1-(3,5-difluorophenyl)-2-methylimidazole-4-carboxamide (CID 139453113) is N-(2-chloro-5-methoxyphenyl)sulfonyl-1-(3,5-difluorophenyl)-2-methylimidazole-4-carboxamide.
What is the SMILES notation for N-(2-chloro-5-methoxyphenyl)sulfonyl-1-(3,5-difluorophenyl)-2-methylimidazole-4-carboxamide?
The canonical SMILES for N-(2-chloro-5-methoxyphenyl)sulfonyl-1-(3,5-difluorophenyl)-2-methylimidazole-4-carboxamide is COc1ccc(Cl)c(S(=O)(=O)NC(=O)c2cn(-c3cc(F)cc(F)c3)c(C)n2)c1.
What is the InChIKey of N-(2-chloro-5-methoxyphenyl)sulfonyl-1-(3,5-difluorophenyl)-2-methylimidazole-4-carboxamide?
The InChIKey is AQPIDZXYIINZIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClF2N3O4S/c1-10-22-16(9-24(10)13-6-11(20)5-12(21)7-13)18(25)23-29(26,27)17-8-14(28-2)3-4-15(17)19/h3-9H,1-2H3,(H,23,25).
What are the key properties of N-(2-chloro-5-methoxyphenyl)sulfonyl-1-(3,5-difluorophenyl)-2-methylimidazole-4-carboxamide?
N-(2-chloro-5-methoxyphenyl)sulfonyl-1-(3,5-difluorophenyl)-2-methylimidazole-4-carboxamide has a molecular weight of 441.84 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-methoxyphenyl)sulfonyl-1-(3,5-difluorophenyl)-2-methylimidazole-4-carboxamide is sourced from PubChem (CID 139453113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).