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

C18H12ClF4N3O4S — CID 139453010

IUPAC1-[3-chloro-5-(trifluoromethyl)phenyl]-N-(2-fluoro-5-methoxyphenyl)sulfonylimidazole-4-carboxamide
SMILESCOc1ccc(F)c(S(=O)(=O)NC(=O)c2cn(-c3cc(Cl)cc(C(F)(F)F)c3)cn2)c1
InChIInChI=1S/C18H12ClF4N3O4S/c1-30-13-2-3-14(20)16(7-13)31(28,29)25-17(27)15-8-26(9-24-15)12-5-10(18(21,22)23)4-11(19)6-12/h2-9H,1H3,(H,25,27)
InChIKeyUJIBLESWNQHPIX-UHFFFAOYSA-N
MW477.82 g/mol
LogP3.81
Rot. Bonds5

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

1-[3-chloro-5-(trifluoromethyl)phenyl]-N-(2-fluoro-5-methoxyphenyl)sulfonylimidazole-4-carboxamide (PubChem CID 139453010) has the molecular formula C18H12ClF4N3O4S and a molecular weight of 477.82 g/mol. Its IUPAC name is 1-[3-chloro-5-(trifluoromethyl)phenyl]-N-(2-fluoro-5-methoxyphenyl)sulfonylimidazole-4-carboxamide.

Molecular Properties

Compound Name1-[3-chloro-5-(trifluoromethyl)phenyl]-N-(2-fluoro-5-methoxyphenyl)sulfonylimidazole-4-carboxamide
PubChem CID139453010
Molecular FormulaC18H12ClF4N3O4S
Molecular Weight477.82 g/mol
Exact Mass477.02
IUPAC Name1-[3-chloro-5-(trifluoromethyl)phenyl]-N-(2-fluoro-5-methoxyphenyl)sulfonylimidazole-4-carboxamide
SMILESCOc1ccc(F)c(S(=O)(=O)NC(=O)c2cn(-c3cc(Cl)cc(C(F)(F)F)c3)cn2)c1
InChIInChI=1S/C18H12ClF4N3O4S/c1-30-13-2-3-14(20)16(7-13)31(28,29)25-17(27)15-8-26(9-24-15)12-5-10(18(21,22)23)4-11(19)6-12/h2-9H,1H3,(H,25,27)
InChIKeyUJIBLESWNQHPIX-UHFFFAOYSA-N
XLogP3.81
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.82
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-5-(trifluoromethyl)phenyl]-N-(2-fluoro-5-methoxyphenyl)sulfonylimidazole-4-carboxamide?
The IUPAC name of 1-[3-chloro-5-(trifluoromethyl)phenyl]-N-(2-fluoro-5-methoxyphenyl)sulfonylimidazole-4-carboxamide (CID 139453010) is 1-[3-chloro-5-(trifluoromethyl)phenyl]-N-(2-fluoro-5-methoxyphenyl)sulfonylimidazole-4-carboxamide.
What is the SMILES notation for 1-[3-chloro-5-(trifluoromethyl)phenyl]-N-(2-fluoro-5-methoxyphenyl)sulfonylimidazole-4-carboxamide?
The canonical SMILES for 1-[3-chloro-5-(trifluoromethyl)phenyl]-N-(2-fluoro-5-methoxyphenyl)sulfonylimidazole-4-carboxamide is COc1ccc(F)c(S(=O)(=O)NC(=O)c2cn(-c3cc(Cl)cc(C(F)(F)F)c3)cn2)c1.
What is the InChIKey of 1-[3-chloro-5-(trifluoromethyl)phenyl]-N-(2-fluoro-5-methoxyphenyl)sulfonylimidazole-4-carboxamide?
The InChIKey is UJIBLESWNQHPIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClF4N3O4S/c1-30-13-2-3-14(20)16(7-13)31(28,29)25-17(27)15-8-26(9-24-15)12-5-10(18(21,22)23)4-11(19)6-12/h2-9H,1H3,(H,25,27).
What are the key properties of 1-[3-chloro-5-(trifluoromethyl)phenyl]-N-(2-fluoro-5-methoxyphenyl)sulfonylimidazole-4-carboxamide?
1-[3-chloro-5-(trifluoromethyl)phenyl]-N-(2-fluoro-5-methoxyphenyl)sulfonylimidazole-4-carboxamide has a molecular weight of 477.82 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-5-(trifluoromethyl)phenyl]-N-(2-fluoro-5-methoxyphenyl)sulfonylimidazole-4-carboxamide is sourced from PubChem (CID 139453010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).