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

C17H10ClF4N3O3S — CID 139453068

IUPACN-(2-chlorophenyl)sulfonyl-1-[3-fluoro-5-(trifluoromethyl)phenyl]imidazole-4-carboxamide
SMILESO=C(NS(=O)(=O)c1ccccc1Cl)c1cn(-c2cc(F)cc(C(F)(F)F)c2)cn1
InChIInChI=1S/C17H10ClF4N3O3S/c18-13-3-1-2-4-15(13)29(27,28)24-16(26)14-8-25(9-23-14)12-6-10(17(20,21)22)5-11(19)7-12/h1-9H,(H,24,26)
InChIKeyUJLKORBCXARXEV-UHFFFAOYSA-N
MW447.80 g/mol
LogP3.80
Rot. Bonds4

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

N-(2-chlorophenyl)sulfonyl-1-[3-fluoro-5-(trifluoromethyl)phenyl]imidazole-4-carboxamide (PubChem CID 139453068) has the molecular formula C17H10ClF4N3O3S and a molecular weight of 447.80 g/mol. Its IUPAC name is N-(2-chlorophenyl)sulfonyl-1-[3-fluoro-5-(trifluoromethyl)phenyl]imidazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)sulfonyl-1-[3-fluoro-5-(trifluoromethyl)phenyl]imidazole-4-carboxamide
PubChem CID139453068
Molecular FormulaC17H10ClF4N3O3S
Molecular Weight447.80 g/mol
Exact Mass447.01
IUPAC NameN-(2-chlorophenyl)sulfonyl-1-[3-fluoro-5-(trifluoromethyl)phenyl]imidazole-4-carboxamide
SMILESO=C(NS(=O)(=O)c1ccccc1Cl)c1cn(-c2cc(F)cc(C(F)(F)F)c2)cn1
InChIInChI=1S/C17H10ClF4N3O3S/c18-13-3-1-2-4-15(13)29(27,28)24-16(26)14-8-25(9-23-14)12-6-10(17(20,21)22)5-11(19)7-12/h1-9H,(H,24,26)
InChIKeyUJLKORBCXARXEV-UHFFFAOYSA-N
XLogP3.80
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.80
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-chlorophenyl)sulfonyl-1-[3-chloro-5-(trifluoromethyl)phenyl]imidazole-4-carboxamide
CID 139452977
1-(4-bromo-3,5-dichlorophenyl)-N-(2-chlorophenyl)sulfonylimidazole-4-carboxamide
CID 139453276
N-(2-chlorophenyl)sulfonyl-1-(2,6-dichlorophenyl)imidazole-4-carboxamide
CID 139453065
N-(benzenesulfonyl)-1-[3-bromo-5-(trifluoromethyl)phenyl]imidazole-4-carboxamide
CID 139453195
N-(benzenesulfonyl)-1-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide
CID 139453020
N-(2-chlorophenyl)sulfonyl-1-[(2,6-difluorophenyl)methyl]imidazole-4-carboxamide
CID 139452892
N-(2,5-dichlorophenyl)sulfonyl-1-(2-fluorophenyl)imidazole-4-carboxamide
CID 139453060
N-(benzenesulfonyl)-1-(3,4,5-trichlorophenyl)imidazole-4-carboxamide
CID 139453257
N-(benzenesulfonyl)-1-(3,5-dichlorophenyl)imidazole-4-carboxamide
CID 139453021
N-phenyl-1-[3-phosphanyl-5-(trifluoromethyl)phenyl]imidazole-4-carboxamide
CID 142342388
N-(2-chloro-5-methoxyphenyl)sulfonyl-1-(2-fluorophenyl)imidazole-4-carboxamide
CID 139453144
N-(benzenesulfonyl)-1-(3-chlorophenyl)imidazole-4-carboxamide
CID 139453099

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)sulfonyl-1-[3-fluoro-5-(trifluoromethyl)phenyl]imidazole-4-carboxamide?
The IUPAC name of N-(2-chlorophenyl)sulfonyl-1-[3-fluoro-5-(trifluoromethyl)phenyl]imidazole-4-carboxamide (CID 139453068) is N-(2-chlorophenyl)sulfonyl-1-[3-fluoro-5-(trifluoromethyl)phenyl]imidazole-4-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)sulfonyl-1-[3-fluoro-5-(trifluoromethyl)phenyl]imidazole-4-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)sulfonyl-1-[3-fluoro-5-(trifluoromethyl)phenyl]imidazole-4-carboxamide is O=C(NS(=O)(=O)c1ccccc1Cl)c1cn(-c2cc(F)cc(C(F)(F)F)c2)cn1.
What is the InChIKey of N-(2-chlorophenyl)sulfonyl-1-[3-fluoro-5-(trifluoromethyl)phenyl]imidazole-4-carboxamide?
The InChIKey is UJLKORBCXARXEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClF4N3O3S/c18-13-3-1-2-4-15(13)29(27,28)24-16(26)14-8-25(9-23-14)12-6-10(17(20,21)22)5-11(19)7-12/h1-9H,(H,24,26).
What are the key properties of N-(2-chlorophenyl)sulfonyl-1-[3-fluoro-5-(trifluoromethyl)phenyl]imidazole-4-carboxamide?
N-(2-chlorophenyl)sulfonyl-1-[3-fluoro-5-(trifluoromethyl)phenyl]imidazole-4-carboxamide has a molecular weight of 447.80 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)sulfonyl-1-[3-fluoro-5-(trifluoromethyl)phenyl]imidazole-4-carboxamide is sourced from PubChem (CID 139453068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).