5-chloro-2-(2,6-difluorophenyl)-1-methyl-N-(2-methylphenyl)sulfonylimidazole-4-carboxamide

C18H14ClF2N3O3S — CID 130437707

IUPAC5-chloro-2-(2,6-difluorophenyl)-1-methyl-N-(2-methylphenyl)sulfonylimidazole-4-carboxamide
SMILESCc1ccccc1S(=O)(=O)NC(=O)c1nc(-c2c(F)cccc2F)n(C)c1Cl
InChIInChI=1S/C18H14ClF2N3O3S/c1-10-6-3-4-9-13(10)28(26,27)23-18(25)15-16(19)24(2)17(22-15)14-11(20)7-5-8-12(14)21/h3-9H,1-2H3,(H,23,25)
InChIKeyGCMWYZPFQQYUGU-UHFFFAOYSA-N
MW425.84 g/mol
LogP3.45
Rot. Bonds4

About 5-chloro-2-(2,6-difluorophenyl)-1-methyl-N-(2-methylphenyl)sulfonylimidazole-4-carboxamide

5-chloro-2-(2,6-difluorophenyl)-1-methyl-N-(2-methylphenyl)sulfonylimidazole-4-carboxamide (PubChem CID 130437707) has the molecular formula C18H14ClF2N3O3S and a molecular weight of 425.84 g/mol. Its IUPAC name is 5-chloro-2-(2,6-difluorophenyl)-1-methyl-N-(2-methylphenyl)sulfonylimidazole-4-carboxamide.

Molecular Properties

Compound Name5-chloro-2-(2,6-difluorophenyl)-1-methyl-N-(2-methylphenyl)sulfonylimidazole-4-carboxamide
PubChem CID130437707
Molecular FormulaC18H14ClF2N3O3S
Molecular Weight425.84 g/mol
Exact Mass425.04
IUPAC Name5-chloro-2-(2,6-difluorophenyl)-1-methyl-N-(2-methylphenyl)sulfonylimidazole-4-carboxamide
SMILESCc1ccccc1S(=O)(=O)NC(=O)c1nc(-c2c(F)cccc2F)n(C)c1Cl
InChIInChI=1S/C18H14ClF2N3O3S/c1-10-6-3-4-9-13(10)28(26,27)23-18(25)15-16(19)24(2)17(22-15)14-11(20)7-5-8-12(14)21/h3-9H,1-2H3,(H,23,25)
InChIKeyGCMWYZPFQQYUGU-UHFFFAOYSA-N
XLogP3.45
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.84
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(2,6-difluorophenyl)-1-methyl-N-(2-methylphenyl)sulfonylimidazole-4-carboxamide?
The IUPAC name of 5-chloro-2-(2,6-difluorophenyl)-1-methyl-N-(2-methylphenyl)sulfonylimidazole-4-carboxamide (CID 130437707) is 5-chloro-2-(2,6-difluorophenyl)-1-methyl-N-(2-methylphenyl)sulfonylimidazole-4-carboxamide.
What is the SMILES notation for 5-chloro-2-(2,6-difluorophenyl)-1-methyl-N-(2-methylphenyl)sulfonylimidazole-4-carboxamide?
The canonical SMILES for 5-chloro-2-(2,6-difluorophenyl)-1-methyl-N-(2-methylphenyl)sulfonylimidazole-4-carboxamide is Cc1ccccc1S(=O)(=O)NC(=O)c1nc(-c2c(F)cccc2F)n(C)c1Cl.
What is the InChIKey of 5-chloro-2-(2,6-difluorophenyl)-1-methyl-N-(2-methylphenyl)sulfonylimidazole-4-carboxamide?
The InChIKey is GCMWYZPFQQYUGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClF2N3O3S/c1-10-6-3-4-9-13(10)28(26,27)23-18(25)15-16(19)24(2)17(22-15)14-11(20)7-5-8-12(14)21/h3-9H,1-2H3,(H,23,25).
What are the key properties of 5-chloro-2-(2,6-difluorophenyl)-1-methyl-N-(2-methylphenyl)sulfonylimidazole-4-carboxamide?
5-chloro-2-(2,6-difluorophenyl)-1-methyl-N-(2-methylphenyl)sulfonylimidazole-4-carboxamide has a molecular weight of 425.84 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(2,6-difluorophenyl)-1-methyl-N-(2-methylphenyl)sulfonylimidazole-4-carboxamide is sourced from PubChem (CID 130437707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).