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

C18H12Cl3F2N3O4S — CID 139453250

IUPACN-(2-chloro-5-methoxyphenyl)sulfonyl-1-(2,4-dichlorophenyl)-5-(difluoromethyl)imidazole-4-carboxamide
SMILESCOc1ccc(Cl)c(S(=O)(=O)NC(=O)c2ncn(-c3ccc(Cl)cc3Cl)c2C(F)F)c1
InChIInChI=1S/C18H12Cl3F2N3O4S/c1-30-10-3-4-11(20)14(7-10)31(28,29)25-18(27)15-16(17(22)23)26(8-24-15)13-5-2-9(19)6-12(13)21/h2-8,17H,1H3,(H,25,27)
InChIKeyIGNDPLGVGUTBEY-UHFFFAOYSA-N
MW510.73 g/mol
LogP4.90
Rot. Bonds6

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

N-(2-chloro-5-methoxyphenyl)sulfonyl-1-(2,4-dichlorophenyl)-5-(difluoromethyl)imidazole-4-carboxamide (PubChem CID 139453250) has the molecular formula C18H12Cl3F2N3O4S and a molecular weight of 510.73 g/mol. Its IUPAC name is N-(2-chloro-5-methoxyphenyl)sulfonyl-1-(2,4-dichlorophenyl)-5-(difluoromethyl)imidazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-5-methoxyphenyl)sulfonyl-1-(2,4-dichlorophenyl)-5-(difluoromethyl)imidazole-4-carboxamide
PubChem CID139453250
Molecular FormulaC18H12Cl3F2N3O4S
Molecular Weight510.73 g/mol
Exact Mass508.96
IUPAC NameN-(2-chloro-5-methoxyphenyl)sulfonyl-1-(2,4-dichlorophenyl)-5-(difluoromethyl)imidazole-4-carboxamide
SMILESCOc1ccc(Cl)c(S(=O)(=O)NC(=O)c2ncn(-c3ccc(Cl)cc3Cl)c2C(F)F)c1
InChIInChI=1S/C18H12Cl3F2N3O4S/c1-30-10-3-4-11(20)14(7-10)31(28,29)25-18(27)15-16(17(22)23)26(8-24-15)13-5-2-9(19)6-12(13)21/h2-8,17H,1H3,(H,25,27)
InChIKeyIGNDPLGVGUTBEY-UHFFFAOYSA-N
XLogP4.90
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.73
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-chloro-5-methoxyphenyl)sulfonyl-1-(4-chlorophenyl)-5-(difluoromethyl)imidazole-4-carboxamide
CID 139453275
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-(2,5-dichlorophenyl)sulfonyl-1-(2-fluorophenyl)imidazole-4-carboxamide
CID 139453060
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-propan-2-yloxyphenyl)sulfonyl-1-(3,5-dichlorophenyl)-2-methylimidazole-4-carboxamide
CID 139453081
N-(2,4-dichlorophenyl)sulfonyl-1-[[4-(difluoromethoxy)phenyl]methyl]indazole-3-carboxamide
CID 166984504
(2R)-2-[(2,5-dichlorophenyl)sulfonylamino]-N-(4-methoxyphenyl)propanamide
CID 126394209
N-(2-chloro-5-methoxyphenyl)sulfonyl-2-(2,3-dichlorophenyl)-1-methylimidazole-4-carboxamide
CID 155116595
N-(2-chlorophenyl)sulfonyl-3-methoxybenzamide
CID 139085848

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-methoxyphenyl)sulfonyl-1-(2,4-dichlorophenyl)-5-(difluoromethyl)imidazole-4-carboxamide?
The IUPAC name of N-(2-chloro-5-methoxyphenyl)sulfonyl-1-(2,4-dichlorophenyl)-5-(difluoromethyl)imidazole-4-carboxamide (CID 139453250) is N-(2-chloro-5-methoxyphenyl)sulfonyl-1-(2,4-dichlorophenyl)-5-(difluoromethyl)imidazole-4-carboxamide.
What is the SMILES notation for N-(2-chloro-5-methoxyphenyl)sulfonyl-1-(2,4-dichlorophenyl)-5-(difluoromethyl)imidazole-4-carboxamide?
The canonical SMILES for N-(2-chloro-5-methoxyphenyl)sulfonyl-1-(2,4-dichlorophenyl)-5-(difluoromethyl)imidazole-4-carboxamide is COc1ccc(Cl)c(S(=O)(=O)NC(=O)c2ncn(-c3ccc(Cl)cc3Cl)c2C(F)F)c1.
What is the InChIKey of N-(2-chloro-5-methoxyphenyl)sulfonyl-1-(2,4-dichlorophenyl)-5-(difluoromethyl)imidazole-4-carboxamide?
The InChIKey is IGNDPLGVGUTBEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Cl3F2N3O4S/c1-30-10-3-4-11(20)14(7-10)31(28,29)25-18(27)15-16(17(22)23)26(8-24-15)13-5-2-9(19)6-12(13)21/h2-8,17H,1H3,(H,25,27).
What are the key properties of N-(2-chloro-5-methoxyphenyl)sulfonyl-1-(2,4-dichlorophenyl)-5-(difluoromethyl)imidazole-4-carboxamide?
N-(2-chloro-5-methoxyphenyl)sulfonyl-1-(2,4-dichlorophenyl)-5-(difluoromethyl)imidazole-4-carboxamide has a molecular weight of 510.73 g/mol, XLogP of 4.90, 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-(2,4-dichlorophenyl)-5-(difluoromethyl)imidazole-4-carboxamide is sourced from PubChem (CID 139453250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).