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

C18H14ClF2N3O4S — CID 155116248

IUPACN-(2-chloro-5-methoxyphenyl)sulfonyl-2-(2,6-difluorophenyl)-5-methyl-1H-imidazole-4-carboxamide
SMILESCOc1ccc(Cl)c(S(=O)(=O)NC(=O)c2nc(-c3c(F)cccc3F)[nH]c2C)c1
InChIInChI=1S/C18H14ClF2N3O4S/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)
InChIKeyNUGYATHWPBULQT-UHFFFAOYSA-N
MW441.84 g/mol
LogP3.44
Rot. Bonds5

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

N-(2-chloro-5-methoxyphenyl)sulfonyl-2-(2,6-difluorophenyl)-5-methyl-1H-imidazole-4-carboxamide (PubChem CID 155116248) has the molecular formula C18H14ClF2N3O4S and a molecular weight of 441.84 g/mol. Its IUPAC name is N-(2-chloro-5-methoxyphenyl)sulfonyl-2-(2,6-difluorophenyl)-5-methyl-1H-imidazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-5-methoxyphenyl)sulfonyl-2-(2,6-difluorophenyl)-5-methyl-1H-imidazole-4-carboxamide
PubChem CID155116248
Molecular FormulaC18H14ClF2N3O4S
Molecular Weight441.84 g/mol
Exact Mass441.04
IUPAC NameN-(2-chloro-5-methoxyphenyl)sulfonyl-2-(2,6-difluorophenyl)-5-methyl-1H-imidazole-4-carboxamide
SMILESCOc1ccc(Cl)c(S(=O)(=O)NC(=O)c2nc(-c3c(F)cccc3F)[nH]c2C)c1
InChIInChI=1S/C18H14ClF2N3O4S/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)
InChIKeyNUGYATHWPBULQT-UHFFFAOYSA-N
XLogP3.44
TPSA101.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.84
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-methoxyphenyl)sulfonyl-2-(2,6-difluorophenyl)-5-methyl-1H-imidazole-4-carboxamide?
The IUPAC name of N-(2-chloro-5-methoxyphenyl)sulfonyl-2-(2,6-difluorophenyl)-5-methyl-1H-imidazole-4-carboxamide (CID 155116248) is N-(2-chloro-5-methoxyphenyl)sulfonyl-2-(2,6-difluorophenyl)-5-methyl-1H-imidazole-4-carboxamide.
What is the SMILES notation for N-(2-chloro-5-methoxyphenyl)sulfonyl-2-(2,6-difluorophenyl)-5-methyl-1H-imidazole-4-carboxamide?
The canonical SMILES for N-(2-chloro-5-methoxyphenyl)sulfonyl-2-(2,6-difluorophenyl)-5-methyl-1H-imidazole-4-carboxamide is COc1ccc(Cl)c(S(=O)(=O)NC(=O)c2nc(-c3c(F)cccc3F)[nH]c2C)c1.
What is the InChIKey of N-(2-chloro-5-methoxyphenyl)sulfonyl-2-(2,6-difluorophenyl)-5-methyl-1H-imidazole-4-carboxamide?
The InChIKey is NUGYATHWPBULQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClF2N3O4S/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 N-(2-chloro-5-methoxyphenyl)sulfonyl-2-(2,6-difluorophenyl)-5-methyl-1H-imidazole-4-carboxamide?
N-(2-chloro-5-methoxyphenyl)sulfonyl-2-(2,6-difluorophenyl)-5-methyl-1H-imidazole-4-carboxamide has a molecular weight of 441.84 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-methoxyphenyl)sulfonyl-2-(2,6-difluorophenyl)-5-methyl-1H-imidazole-4-carboxamide is sourced from PubChem (CID 155116248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).