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

C20H16ClF2N3O4S — CID 139453327

IUPACN-(2-chloro-5-methoxyphenyl)sulfonyl-5-cyclopropyl-1-(2,5-difluorophenyl)imidazole-4-carboxamide
SMILESCOc1ccc(Cl)c(S(=O)(=O)NC(=O)c2ncn(-c3cc(F)ccc3F)c2C2CC2)c1
InChIInChI=1S/C20H16ClF2N3O4S/c1-30-13-5-6-14(21)17(9-13)31(28,29)25-20(27)18-19(11-2-3-11)26(10-24-18)16-8-12(22)4-7-15(16)23/h4-11H,2-3H2,1H3,(H,25,27)
InChIKeyZBWHXSAULDVRQL-UHFFFAOYSA-N
MW467.88 g/mol
LogP3.81
Rot. Bonds6

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

N-(2-chloro-5-methoxyphenyl)sulfonyl-5-cyclopropyl-1-(2,5-difluorophenyl)imidazole-4-carboxamide (PubChem CID 139453327) has the molecular formula C20H16ClF2N3O4S and a molecular weight of 467.88 g/mol. Its IUPAC name is N-(2-chloro-5-methoxyphenyl)sulfonyl-5-cyclopropyl-1-(2,5-difluorophenyl)imidazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-5-methoxyphenyl)sulfonyl-5-cyclopropyl-1-(2,5-difluorophenyl)imidazole-4-carboxamide
PubChem CID139453327
Molecular FormulaC20H16ClF2N3O4S
Molecular Weight467.88 g/mol
Exact Mass467.05
IUPAC NameN-(2-chloro-5-methoxyphenyl)sulfonyl-5-cyclopropyl-1-(2,5-difluorophenyl)imidazole-4-carboxamide
SMILESCOc1ccc(Cl)c(S(=O)(=O)NC(=O)c2ncn(-c3cc(F)ccc3F)c2C2CC2)c1
InChIInChI=1S/C20H16ClF2N3O4S/c1-30-13-5-6-14(21)17(9-13)31(28,29)25-20(27)18-19(11-2-3-11)26(10-24-18)16-8-12(22)4-7-15(16)23/h4-11H,2-3H2,1H3,(H,25,27)
InChIKeyZBWHXSAULDVRQL-UHFFFAOYSA-N
XLogP3.81
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.88
LogP ≤ 53.81
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-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-(trifluoromethyl)cyclopropyl]imidazole-4-carboxamide
CID 139452890
N-(2-chlorophenyl)sulfonyl-1-[2-(trifluoromethoxy)phenyl]imidazole-4-carboxamide
CID 139452935
1-(3-chloro-5-fluorophenyl)-N-(2-chloro-5-methoxyphenyl)sulfonyl-2-methylimidazole-4-carboxamide
CID 139452989
5-chloro-N-(2-chloro-5-propan-2-yloxyphenyl)sulfonyl-1-[2-(trifluoromethyl)cyclopropyl]imidazole-4-carboxamide
CID 139452998
1-[3-chloro-5-(trifluoromethyl)phenyl]-N-(2-fluoro-5-methoxyphenyl)sulfonylimidazole-4-carboxamide
CID 139453010
1-(3-chloro-5-fluorophenyl)-N-(2-fluoro-5-methoxyphenyl)sulfonylimidazole-4-carboxamide
CID 139453027
1-(3-chloro-5-fluorophenyl)-N-(2-chloro-5-propan-2-yloxyphenyl)sulfonylimidazole-4-carboxamide
CID 139453030
N-(2-chloro-5-methoxyphenyl)sulfonyl-1-[2-chloro-4-(trifluoromethyl)phenyl]imidazole-4-carboxamide
CID 139453052

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-methoxyphenyl)sulfonyl-5-cyclopropyl-1-(2,5-difluorophenyl)imidazole-4-carboxamide?
The IUPAC name of N-(2-chloro-5-methoxyphenyl)sulfonyl-5-cyclopropyl-1-(2,5-difluorophenyl)imidazole-4-carboxamide (CID 139453327) is N-(2-chloro-5-methoxyphenyl)sulfonyl-5-cyclopropyl-1-(2,5-difluorophenyl)imidazole-4-carboxamide.
What is the SMILES notation for N-(2-chloro-5-methoxyphenyl)sulfonyl-5-cyclopropyl-1-(2,5-difluorophenyl)imidazole-4-carboxamide?
The canonical SMILES for N-(2-chloro-5-methoxyphenyl)sulfonyl-5-cyclopropyl-1-(2,5-difluorophenyl)imidazole-4-carboxamide is COc1ccc(Cl)c(S(=O)(=O)NC(=O)c2ncn(-c3cc(F)ccc3F)c2C2CC2)c1.
What is the InChIKey of N-(2-chloro-5-methoxyphenyl)sulfonyl-5-cyclopropyl-1-(2,5-difluorophenyl)imidazole-4-carboxamide?
The InChIKey is ZBWHXSAULDVRQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClF2N3O4S/c1-30-13-5-6-14(21)17(9-13)31(28,29)25-20(27)18-19(11-2-3-11)26(10-24-18)16-8-12(22)4-7-15(16)23/h4-11H,2-3H2,1H3,(H,25,27).
What are the key properties of N-(2-chloro-5-methoxyphenyl)sulfonyl-5-cyclopropyl-1-(2,5-difluorophenyl)imidazole-4-carboxamide?
N-(2-chloro-5-methoxyphenyl)sulfonyl-5-cyclopropyl-1-(2,5-difluorophenyl)imidazole-4-carboxamide has a molecular weight of 467.88 g/mol, XLogP of 3.81, 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-cyclopropyl-1-(2,5-difluorophenyl)imidazole-4-carboxamide is sourced from PubChem (CID 139453327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).