N-(2-chloro-5-methoxyphenyl)sulfonyl-2-ethyl-1-[3-fluoro-5-(trifluoromethyl)phenyl]imidazole-4-carboxamide

C20H16ClF4N3O4S — CID 139453268

IUPACN-(2-chloro-5-methoxyphenyl)sulfonyl-2-ethyl-1-[3-fluoro-5-(trifluoromethyl)phenyl]imidazole-4-carboxamide
SMILESCCc1nc(C(=O)NS(=O)(=O)c2cc(OC)ccc2Cl)cn1-c1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C20H16ClF4N3O4S/c1-3-18-26-16(10-28(18)13-7-11(20(23,24)25)6-12(22)8-13)19(29)27-33(30,31)17-9-14(32-2)4-5-15(17)21/h4-10H,3H2,1-2H3,(H,27,29)
InChIKeyJJBVBWSFIXIZPH-UHFFFAOYSA-N
MW505.88 g/mol
LogP4.37
Rot. Bonds6

About N-(2-chloro-5-methoxyphenyl)sulfonyl-2-ethyl-1-[3-fluoro-5-(trifluoromethyl)phenyl]imidazole-4-carboxamide

N-(2-chloro-5-methoxyphenyl)sulfonyl-2-ethyl-1-[3-fluoro-5-(trifluoromethyl)phenyl]imidazole-4-carboxamide (PubChem CID 139453268) has the molecular formula C20H16ClF4N3O4S and a molecular weight of 505.88 g/mol. Its IUPAC name is N-(2-chloro-5-methoxyphenyl)sulfonyl-2-ethyl-1-[3-fluoro-5-(trifluoromethyl)phenyl]imidazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-5-methoxyphenyl)sulfonyl-2-ethyl-1-[3-fluoro-5-(trifluoromethyl)phenyl]imidazole-4-carboxamide
PubChem CID139453268
Molecular FormulaC20H16ClF4N3O4S
Molecular Weight505.88 g/mol
Exact Mass505.05
IUPAC NameN-(2-chloro-5-methoxyphenyl)sulfonyl-2-ethyl-1-[3-fluoro-5-(trifluoromethyl)phenyl]imidazole-4-carboxamide
SMILESCCc1nc(C(=O)NS(=O)(=O)c2cc(OC)ccc2Cl)cn1-c1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C20H16ClF4N3O4S/c1-3-18-26-16(10-28(18)13-7-11(20(23,24)25)6-12(22)8-13)19(29)27-33(30,31)17-9-14(32-2)4-5-15(17)21/h4-10H,3H2,1-2H3,(H,27,29)
InChIKeyJJBVBWSFIXIZPH-UHFFFAOYSA-N
XLogP4.37
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.88
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Fluazaindolizine
CID 46944253
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CID 134789346
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
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
3-(2-chloro-5-methoxyphenyl)sulfonyl-1-[2-(2,6-difluorophenyl)-1H-imidazol-5-yl]-2-iminopropan-1-one
CID 130437803
N-[5-[2-(difluoromethyl)-6-oxo-7-propyl-1H-purin-8-yl]-2-pyridinyl]-3-methoxybenzenesulfonamide
CID 136489384
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

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-methoxyphenyl)sulfonyl-2-ethyl-1-[3-fluoro-5-(trifluoromethyl)phenyl]imidazole-4-carboxamide?
The IUPAC name of N-(2-chloro-5-methoxyphenyl)sulfonyl-2-ethyl-1-[3-fluoro-5-(trifluoromethyl)phenyl]imidazole-4-carboxamide (CID 139453268) is N-(2-chloro-5-methoxyphenyl)sulfonyl-2-ethyl-1-[3-fluoro-5-(trifluoromethyl)phenyl]imidazole-4-carboxamide.
What is the SMILES notation for N-(2-chloro-5-methoxyphenyl)sulfonyl-2-ethyl-1-[3-fluoro-5-(trifluoromethyl)phenyl]imidazole-4-carboxamide?
The canonical SMILES for N-(2-chloro-5-methoxyphenyl)sulfonyl-2-ethyl-1-[3-fluoro-5-(trifluoromethyl)phenyl]imidazole-4-carboxamide is CCc1nc(C(=O)NS(=O)(=O)c2cc(OC)ccc2Cl)cn1-c1cc(F)cc(C(F)(F)F)c1.
What is the InChIKey of N-(2-chloro-5-methoxyphenyl)sulfonyl-2-ethyl-1-[3-fluoro-5-(trifluoromethyl)phenyl]imidazole-4-carboxamide?
The InChIKey is JJBVBWSFIXIZPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClF4N3O4S/c1-3-18-26-16(10-28(18)13-7-11(20(23,24)25)6-12(22)8-13)19(29)27-33(30,31)17-9-14(32-2)4-5-15(17)21/h4-10H,3H2,1-2H3,(H,27,29).
What are the key properties of N-(2-chloro-5-methoxyphenyl)sulfonyl-2-ethyl-1-[3-fluoro-5-(trifluoromethyl)phenyl]imidazole-4-carboxamide?
N-(2-chloro-5-methoxyphenyl)sulfonyl-2-ethyl-1-[3-fluoro-5-(trifluoromethyl)phenyl]imidazole-4-carboxamide has a molecular weight of 505.88 g/mol, XLogP of 4.37, 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-2-ethyl-1-[3-fluoro-5-(trifluoromethyl)phenyl]imidazole-4-carboxamide is sourced from PubChem (CID 139453268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).