N-(2-chloro-5-methoxyphenyl)sulfonyl-1-(4-chlorophenyl)-5-(difluoromethyl)imidazole-4-carboxamide

C18H13Cl2F2N3O4S — CID 139453275

IUPACN-(2-chloro-5-methoxyphenyl)sulfonyl-1-(4-chlorophenyl)-5-(difluoromethyl)imidazole-4-carboxamide
SMILESCOc1ccc(Cl)c(S(=O)(=O)NC(=O)c2ncn(-c3ccc(Cl)cc3)c2C(F)F)c1
InChIInChI=1S/C18H13Cl2F2N3O4S/c1-29-12-6-7-13(20)14(8-12)30(27,28)24-18(26)15-16(17(21)22)25(9-23-15)11-4-2-10(19)3-5-11/h2-9,17H,1H3,(H,24,26)
InChIKeyZURKPLFZWQGMRC-UHFFFAOYSA-N
MW476.29 g/mol
LogP4.24
Rot. Bonds6

About N-(2-chloro-5-methoxyphenyl)sulfonyl-1-(4-chlorophenyl)-5-(difluoromethyl)imidazole-4-carboxamide

N-(2-chloro-5-methoxyphenyl)sulfonyl-1-(4-chlorophenyl)-5-(difluoromethyl)imidazole-4-carboxamide (PubChem CID 139453275) has the molecular formula C18H13Cl2F2N3O4S and a molecular weight of 476.29 g/mol. Its IUPAC name is N-(2-chloro-5-methoxyphenyl)sulfonyl-1-(4-chlorophenyl)-5-(difluoromethyl)imidazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-5-methoxyphenyl)sulfonyl-1-(4-chlorophenyl)-5-(difluoromethyl)imidazole-4-carboxamide
PubChem CID139453275
Molecular FormulaC18H13Cl2F2N3O4S
Molecular Weight476.29 g/mol
Exact Mass475.00
IUPAC NameN-(2-chloro-5-methoxyphenyl)sulfonyl-1-(4-chlorophenyl)-5-(difluoromethyl)imidazole-4-carboxamide
SMILESCOc1ccc(Cl)c(S(=O)(=O)NC(=O)c2ncn(-c3ccc(Cl)cc3)c2C(F)F)c1
InChIInChI=1S/C18H13Cl2F2N3O4S/c1-29-12-6-7-13(20)14(8-12)30(27,28)24-18(26)15-16(17(21)22)25(9-23-15)11-4-2-10(19)3-5-11/h2-9,17H,1H3,(H,24,26)
InChIKeyZURKPLFZWQGMRC-UHFFFAOYSA-N
XLogP4.24
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.29
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-chloro-5-methoxyphenyl)sulfonyl-1-(2,4-dichlorophenyl)-5-(difluoromethyl)imidazole-4-carboxamide
CID 139453250
N-(2-chloro-5-methoxyphenyl)sulfonyl-1-(2,4-dichlorophenyl)imidazole-4-carboxamide
CID 139453200
N-(2-chloro-5-methoxyphenyl)sulfonyl-1-(2-fluorophenyl)imidazole-4-carboxamide
CID 139453144
N-(2-chloro-5-methoxyphenyl)sulfonyl-1-(3,5-dichlorophenyl)-2-propan-2-ylimidazole-4-carboxamide
CID 139453142
N-(2-chloro-5-methoxyphenyl)sulfonyl-5-[3-chloro-5-(trifluoromethyl)phenyl]-1-methylpyrazole-3-carboxamide
CID 139453023
N-(2-chloro-5-propan-2-yloxyphenyl)sulfonyl-1-(3,5-dichlorophenyl)-2-methylimidazole-4-carboxamide
CID 139453081
1-(3,5-difluorophenyl)-N-(2-fluoro-5-methoxyphenyl)sulfonyl-2-methylimidazole-4-carboxamide
CID 139453176
N-(2-chloro-5-methoxyphenyl)sulfonyl-5-propan-2-yl-2-(3-propan-2-ylphenyl)-1H-imidazole-4-carboxamide
CID 146335150
N-(2-chloro-5-methoxyphenyl)sulfonyl-2-(2,3-dichlorophenyl)-1-methylimidazole-4-carboxamide
CID 155116595
dimethyl 1-[4-(4-chlorophenoxy)phenyl]imidazole-4,5-dicarboxylate
CID 175044351
N-(2-chlorophenyl)sulfonyl-3-methoxybenzamide
CID 139085848
5-chloro-N-(4-methoxyphenyl)sulfonyl-1-[2-(trifluoromethyl)phenyl]imidazole-4-carboxamide
CID 139453291

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-methoxyphenyl)sulfonyl-1-(4-chlorophenyl)-5-(difluoromethyl)imidazole-4-carboxamide?
The IUPAC name of N-(2-chloro-5-methoxyphenyl)sulfonyl-1-(4-chlorophenyl)-5-(difluoromethyl)imidazole-4-carboxamide (CID 139453275) is N-(2-chloro-5-methoxyphenyl)sulfonyl-1-(4-chlorophenyl)-5-(difluoromethyl)imidazole-4-carboxamide.
What is the SMILES notation for N-(2-chloro-5-methoxyphenyl)sulfonyl-1-(4-chlorophenyl)-5-(difluoromethyl)imidazole-4-carboxamide?
The canonical SMILES for N-(2-chloro-5-methoxyphenyl)sulfonyl-1-(4-chlorophenyl)-5-(difluoromethyl)imidazole-4-carboxamide is COc1ccc(Cl)c(S(=O)(=O)NC(=O)c2ncn(-c3ccc(Cl)cc3)c2C(F)F)c1.
What is the InChIKey of N-(2-chloro-5-methoxyphenyl)sulfonyl-1-(4-chlorophenyl)-5-(difluoromethyl)imidazole-4-carboxamide?
The InChIKey is ZURKPLFZWQGMRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2F2N3O4S/c1-29-12-6-7-13(20)14(8-12)30(27,28)24-18(26)15-16(17(21)22)25(9-23-15)11-4-2-10(19)3-5-11/h2-9,17H,1H3,(H,24,26).
What are the key properties of N-(2-chloro-5-methoxyphenyl)sulfonyl-1-(4-chlorophenyl)-5-(difluoromethyl)imidazole-4-carboxamide?
N-(2-chloro-5-methoxyphenyl)sulfonyl-1-(4-chlorophenyl)-5-(difluoromethyl)imidazole-4-carboxamide has a molecular weight of 476.29 g/mol, XLogP of 4.24, 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-1-(4-chlorophenyl)-5-(difluoromethyl)imidazole-4-carboxamide is sourced from PubChem (CID 139453275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).