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

C18H12ClF4N3O4S — CID 139453284

IUPACN-(2-chloro-5-methoxyphenyl)sulfonyl-5-(difluoromethyl)-1-(2,6-difluorophenyl)imidazole-4-carboxamide
SMILESCOc1ccc(Cl)c(S(=O)(=O)NC(=O)c2ncn(-c3c(F)cccc3F)c2C(F)F)c1
InChIInChI=1S/C18H12ClF4N3O4S/c1-30-9-5-6-10(19)13(7-9)31(28,29)25-18(27)14-16(17(22)23)26(8-24-14)15-11(20)3-2-4-12(15)21/h2-8,17H,1H3,(H,25,27)
InChIKeyFYWRREQWSZOBGV-UHFFFAOYSA-N
MW477.82 g/mol
LogP3.87
Rot. Bonds6

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

N-(2-chloro-5-methoxyphenyl)sulfonyl-5-(difluoromethyl)-1-(2,6-difluorophenyl)imidazole-4-carboxamide (PubChem CID 139453284) has the molecular formula C18H12ClF4N3O4S and a molecular weight of 477.82 g/mol. Its IUPAC name is N-(2-chloro-5-methoxyphenyl)sulfonyl-5-(difluoromethyl)-1-(2,6-difluorophenyl)imidazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-5-methoxyphenyl)sulfonyl-5-(difluoromethyl)-1-(2,6-difluorophenyl)imidazole-4-carboxamide
PubChem CID139453284
Molecular FormulaC18H12ClF4N3O4S
Molecular Weight477.82 g/mol
Exact Mass477.02
IUPAC NameN-(2-chloro-5-methoxyphenyl)sulfonyl-5-(difluoromethyl)-1-(2,6-difluorophenyl)imidazole-4-carboxamide
SMILESCOc1ccc(Cl)c(S(=O)(=O)NC(=O)c2ncn(-c3c(F)cccc3F)c2C(F)F)c1
InChIInChI=1S/C18H12ClF4N3O4S/c1-30-9-5-6-10(19)13(7-9)31(28,29)25-18(27)14-16(17(22)23)26(8-24-14)15-11(20)3-2-4-12(15)21/h2-8,17H,1H3,(H,25,27)
InChIKeyFYWRREQWSZOBGV-UHFFFAOYSA-N
XLogP3.87
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.82
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Fluazaindolizine
CID 46944253
8-chloro-N-[(2-chloro-5-methoxyphenyl)sulfonyl]-3-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 67494733
N-(2-chloro-5-methoxyphenyl)sulfonyl-2-(2-fluorophenyl)-5-methyl-1H-imidazole-4-carboxamide
CID 130437700
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
5-chloro-N-(2-chloro-5-methoxyphenyl)sulfonyl-1-(2,2,3,3,3-pentafluoropropyl)imidazole-4-carboxamide
CID 139452883
2,5-dichloro-N-(2-chloro-5-methoxyphenyl)sulfonyl-1-(3,3,3-trifluoropropyl)imidazole-4-carboxamide
CID 139452887
5-chloro-N-(2-chloro-5-methoxyphenyl)sulfonyl-1-[2-(trifluoromethyl)cyclopropyl]imidazole-4-carboxamide
CID 139452890
N-(2-chlorophenyl)sulfonyl-1-[2-(trifluoromethoxy)phenyl]imidazole-4-carboxamide
CID 139452935
5-chloro-N-(3-methoxyphenyl)sulfonyl-1-(2,2,3,3,3-pentafluoropropyl)imidazole-4-carboxamide
CID 139452976
5-chloro-N-(2-chloro-5-methoxyphenyl)sulfonyl-1-(4,4,4-trifluorobutan-2-yl)imidazole-4-carboxamide
CID 139452987
1-(3-chloro-5-fluorophenyl)-N-(2-chloro-5-methoxyphenyl)sulfonyl-2-methylimidazole-4-carboxamide
CID 139452989

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-methoxyphenyl)sulfonyl-5-(difluoromethyl)-1-(2,6-difluorophenyl)imidazole-4-carboxamide?
The IUPAC name of N-(2-chloro-5-methoxyphenyl)sulfonyl-5-(difluoromethyl)-1-(2,6-difluorophenyl)imidazole-4-carboxamide (CID 139453284) is N-(2-chloro-5-methoxyphenyl)sulfonyl-5-(difluoromethyl)-1-(2,6-difluorophenyl)imidazole-4-carboxamide.
What is the SMILES notation for N-(2-chloro-5-methoxyphenyl)sulfonyl-5-(difluoromethyl)-1-(2,6-difluorophenyl)imidazole-4-carboxamide?
The canonical SMILES for N-(2-chloro-5-methoxyphenyl)sulfonyl-5-(difluoromethyl)-1-(2,6-difluorophenyl)imidazole-4-carboxamide is COc1ccc(Cl)c(S(=O)(=O)NC(=O)c2ncn(-c3c(F)cccc3F)c2C(F)F)c1.
What is the InChIKey of N-(2-chloro-5-methoxyphenyl)sulfonyl-5-(difluoromethyl)-1-(2,6-difluorophenyl)imidazole-4-carboxamide?
The InChIKey is FYWRREQWSZOBGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClF4N3O4S/c1-30-9-5-6-10(19)13(7-9)31(28,29)25-18(27)14-16(17(22)23)26(8-24-14)15-11(20)3-2-4-12(15)21/h2-8,17H,1H3,(H,25,27).
What are the key properties of N-(2-chloro-5-methoxyphenyl)sulfonyl-5-(difluoromethyl)-1-(2,6-difluorophenyl)imidazole-4-carboxamide?
N-(2-chloro-5-methoxyphenyl)sulfonyl-5-(difluoromethyl)-1-(2,6-difluorophenyl)imidazole-4-carboxamide has a molecular weight of 477.82 g/mol, XLogP of 3.87, 6 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-5-(difluoromethyl)-1-(2,6-difluorophenyl)imidazole-4-carboxamide is sourced from PubChem (CID 139453284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).