N-(benzenesulfonyl)-1-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide

C17H12F3N3O3S — CID 139453020

IUPACN-(benzenesulfonyl)-1-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide
SMILESO=C(NS(=O)(=O)c1ccccc1)c1cn(-c2cccc(C(F)(F)F)c2)cn1
InChIInChI=1S/C17H12F3N3O3S/c18-17(19,20)12-5-4-6-13(9-12)23-10-15(21-11-23)16(24)22-27(25,26)14-7-2-1-3-8-14/h1-11H,(H,22,24)
InChIKeyRHBCWVPQWGNYAV-UHFFFAOYSA-N
MW395.36 g/mol
LogP3.01
Rot. Bonds4

About N-(benzenesulfonyl)-1-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide

N-(benzenesulfonyl)-1-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide (PubChem CID 139453020) has the molecular formula C17H12F3N3O3S and a molecular weight of 395.36 g/mol. Its IUPAC name is N-(benzenesulfonyl)-1-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide.

Molecular Properties

Compound NameN-(benzenesulfonyl)-1-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide
PubChem CID139453020
Molecular FormulaC17H12F3N3O3S
Molecular Weight395.36 g/mol
Exact Mass395.06
IUPAC NameN-(benzenesulfonyl)-1-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide
SMILESO=C(NS(=O)(=O)c1ccccc1)c1cn(-c2cccc(C(F)(F)F)c2)cn1
InChIInChI=1S/C17H12F3N3O3S/c18-17(19,20)12-5-4-6-13(9-12)23-10-15(21-11-23)16(24)22-27(25,26)14-7-2-1-3-8-14/h1-11H,(H,22,24)
InChIKeyRHBCWVPQWGNYAV-UHFFFAOYSA-N
XLogP3.01
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.36
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(benzenesulfonyl)-1-[3-bromo-5-(trifluoromethyl)phenyl]imidazole-4-carboxamide
CID 139453195
N-(benzenesulfonyl)-1-(3-chlorophenyl)imidazole-4-carboxamide
CID 139453099
N-(benzenesulfonyl)-1-(3,5-dichlorophenyl)imidazole-4-carboxamide
CID 139453021
N-benzyl-1-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide
CID 100816156
N-(benzenesulfonyl)-1-(3,5-dibromophenyl)imidazole-4-carboxamide
CID 139453191
N-propan-2-yl-1-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide
CID 100816389
N-(benzenesulfonyl)-1-(3,4,5-trichlorophenyl)imidazole-4-carboxamide
CID 139453257
N-ethyl-1-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide
CID 100819634
N-(2-chlorophenyl)sulfonyl-1-[3-chloro-5-(trifluoromethyl)phenyl]imidazole-4-carboxamide
CID 139452977
N-(2-chlorophenyl)sulfonyl-1-[3-fluoro-5-(trifluoromethyl)phenyl]imidazole-4-carboxamide
CID 139453068
1-phenyl-N-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methyl]imidazole-4-carboxamide
CID 154850034
1-(3-chlorophenyl)-N-methylsulfonylimidazole-4-carboxamide
CID 146154715

Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-1-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide?
The IUPAC name of N-(benzenesulfonyl)-1-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide (CID 139453020) is N-(benzenesulfonyl)-1-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide.
What is the SMILES notation for N-(benzenesulfonyl)-1-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide?
The canonical SMILES for N-(benzenesulfonyl)-1-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide is O=C(NS(=O)(=O)c1ccccc1)c1cn(-c2cccc(C(F)(F)F)c2)cn1.
What is the InChIKey of N-(benzenesulfonyl)-1-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide?
The InChIKey is RHBCWVPQWGNYAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N3O3S/c18-17(19,20)12-5-4-6-13(9-12)23-10-15(21-11-23)16(24)22-27(25,26)14-7-2-1-3-8-14/h1-11H,(H,22,24).
What are the key properties of N-(benzenesulfonyl)-1-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide?
N-(benzenesulfonyl)-1-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide has a molecular weight of 395.36 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonyl)-1-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide is sourced from PubChem (CID 139453020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).