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

C18H14ClF2N3O4S — CID 139451192

IUPACN-(2-chloro-5-methoxyphenyl)sulfonyl-1-[(2,6-difluorophenyl)methyl]imidazole-4-carboxamide
SMILESCOc1ccc(Cl)c(S(=O)(=O)NC(=O)c2cn(Cc3c(F)cccc3F)cn2)c1
InChIInChI=1S/C18H14ClF2N3O4S/c1-28-11-5-6-13(19)17(7-11)29(26,27)23-18(25)16-9-24(10-22-16)8-12-14(20)3-2-4-15(12)21/h2-7,9-10H,8H2,1H3,(H,23,25)
InChIKeyKTPYBAFTSJMLAT-UHFFFAOYSA-N
MW441.84 g/mol
LogP2.99
Rot. Bonds6

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

N-(2-chloro-5-methoxyphenyl)sulfonyl-1-[(2,6-difluorophenyl)methyl]imidazole-4-carboxamide (PubChem CID 139451192) has the molecular formula C18H14ClF2N3O4S and a molecular weight of 441.84 g/mol. Its IUPAC name is N-(2-chloro-5-methoxyphenyl)sulfonyl-1-[(2,6-difluorophenyl)methyl]imidazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-5-methoxyphenyl)sulfonyl-1-[(2,6-difluorophenyl)methyl]imidazole-4-carboxamide
PubChem CID139451192
Molecular FormulaC18H14ClF2N3O4S
Molecular Weight441.84 g/mol
Exact Mass441.04
IUPAC NameN-(2-chloro-5-methoxyphenyl)sulfonyl-1-[(2,6-difluorophenyl)methyl]imidazole-4-carboxamide
SMILESCOc1ccc(Cl)c(S(=O)(=O)NC(=O)c2cn(Cc3c(F)cccc3F)cn2)c1
InChIInChI=1S/C18H14ClF2N3O4S/c1-28-11-5-6-13(19)17(7-11)29(26,27)23-18(25)16-9-24(10-22-16)8-12-14(20)3-2-4-15(12)21/h2-7,9-10H,8H2,1H3,(H,23,25)
InChIKeyKTPYBAFTSJMLAT-UHFFFAOYSA-N
XLogP2.99
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.84
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Fluazaindolizine
CID 46944253
4-(4-chloro-2-(8-oxo-7,8-dihydroimidazo[1,5-a]pyrazin-5-yl)phenoxy)-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 71557176
2-chloro-N-[2-[5-(4-fluorophenyl)-1H-imidazol-2-yl]ethyl]-5-methoxybenzenesulfonamide
CID 72106420
8-bromo-N-[(2-chloro-5-methoxyphenyl)sulfonyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 49818965
N-[(2-chloro-5-methoxyphenyl)sulfonyl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine-2-carboxamide
CID 56952251
2-chloro-N-[1-[3-ethyl-2-(4-methylphenoxy)imidazol-4-yl]ethyl]-4-fluorobenzenesulfonamide
CID 57782106
2-chloro-N-[1-[3-ethyl-2-(4-methylphenoxy)imidazol-4-yl]ethyl]-4,5-difluorobenzenesulfonamide
CID 57782307
8-chloro-N-[(2-chloro-5-methoxyphenyl)sulfonyl]-3-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 67494733
CID 90332087
CID 90332087
8-chloro-N-(2-chloro-5-methoxyphenyl)sulfonyl-N-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 90900083
8-chloro-N-(2-chloro-5-methoxyphenyl)sulfonyl-6-(1-fluoroethyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 123742020
N-(2-chloro-5-methoxyphenyl)sulfonyl-2-(2-fluorophenyl)-5-methyl-1H-imidazole-4-carboxamide
CID 130437700

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-methoxyphenyl)sulfonyl-1-[(2,6-difluorophenyl)methyl]imidazole-4-carboxamide?
The IUPAC name of N-(2-chloro-5-methoxyphenyl)sulfonyl-1-[(2,6-difluorophenyl)methyl]imidazole-4-carboxamide (CID 139451192) is N-(2-chloro-5-methoxyphenyl)sulfonyl-1-[(2,6-difluorophenyl)methyl]imidazole-4-carboxamide.
What is the SMILES notation for N-(2-chloro-5-methoxyphenyl)sulfonyl-1-[(2,6-difluorophenyl)methyl]imidazole-4-carboxamide?
The canonical SMILES for N-(2-chloro-5-methoxyphenyl)sulfonyl-1-[(2,6-difluorophenyl)methyl]imidazole-4-carboxamide is COc1ccc(Cl)c(S(=O)(=O)NC(=O)c2cn(Cc3c(F)cccc3F)cn2)c1.
What is the InChIKey of N-(2-chloro-5-methoxyphenyl)sulfonyl-1-[(2,6-difluorophenyl)methyl]imidazole-4-carboxamide?
The InChIKey is KTPYBAFTSJMLAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClF2N3O4S/c1-28-11-5-6-13(19)17(7-11)29(26,27)23-18(25)16-9-24(10-22-16)8-12-14(20)3-2-4-15(12)21/h2-7,9-10H,8H2,1H3,(H,23,25).
What are the key properties of N-(2-chloro-5-methoxyphenyl)sulfonyl-1-[(2,6-difluorophenyl)methyl]imidazole-4-carboxamide?
N-(2-chloro-5-methoxyphenyl)sulfonyl-1-[(2,6-difluorophenyl)methyl]imidazole-4-carboxamide has a molecular weight of 441.84 g/mol, XLogP of 2.99, 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-[(2,6-difluorophenyl)methyl]imidazole-4-carboxamide is sourced from PubChem (CID 139451192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).