N-(benzenesulfonyl)-1-[3-bromo-5-(trifluoromethyl)phenyl]imidazole-4-carboxamide

C17H11BrF3N3O3S — CID 139453195

IUPACN-(benzenesulfonyl)-1-[3-bromo-5-(trifluoromethyl)phenyl]imidazole-4-carboxamide
SMILESO=C(NS(=O)(=O)c1ccccc1)c1cn(-c2cc(Br)cc(C(F)(F)F)c2)cn1
InChIInChI=1S/C17H11BrF3N3O3S/c18-12-6-11(17(19,20)21)7-13(8-12)24-9-15(22-10-24)16(25)23-28(26,27)14-4-2-1-3-5-14/h1-10H,(H,23,25)
InChIKeyVTDWTDAUAJPZCI-UHFFFAOYSA-N
MW474.26 g/mol
LogP3.77
Rot. Bonds4

About N-(benzenesulfonyl)-1-[3-bromo-5-(trifluoromethyl)phenyl]imidazole-4-carboxamide

N-(benzenesulfonyl)-1-[3-bromo-5-(trifluoromethyl)phenyl]imidazole-4-carboxamide (PubChem CID 139453195) has the molecular formula C17H11BrF3N3O3S and a molecular weight of 474.26 g/mol. Its IUPAC name is N-(benzenesulfonyl)-1-[3-bromo-5-(trifluoromethyl)phenyl]imidazole-4-carboxamide.

Molecular Properties

Compound NameN-(benzenesulfonyl)-1-[3-bromo-5-(trifluoromethyl)phenyl]imidazole-4-carboxamide
PubChem CID139453195
Molecular FormulaC17H11BrF3N3O3S
Molecular Weight474.26 g/mol
Exact Mass472.97
IUPAC NameN-(benzenesulfonyl)-1-[3-bromo-5-(trifluoromethyl)phenyl]imidazole-4-carboxamide
SMILESO=C(NS(=O)(=O)c1ccccc1)c1cn(-c2cc(Br)cc(C(F)(F)F)c2)cn1
InChIInChI=1S/C17H11BrF3N3O3S/c18-12-6-11(17(19,20)21)7-13(8-12)24-9-15(22-10-24)16(25)23-28(26,27)14-4-2-1-3-5-14/h1-10H,(H,23,25)
InChIKeyVTDWTDAUAJPZCI-UHFFFAOYSA-N
XLogP3.77
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.26
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-1-[3-bromo-5-(trifluoromethyl)phenyl]imidazole-4-carboxamide?
The IUPAC name of N-(benzenesulfonyl)-1-[3-bromo-5-(trifluoromethyl)phenyl]imidazole-4-carboxamide (CID 139453195) is N-(benzenesulfonyl)-1-[3-bromo-5-(trifluoromethyl)phenyl]imidazole-4-carboxamide.
What is the SMILES notation for N-(benzenesulfonyl)-1-[3-bromo-5-(trifluoromethyl)phenyl]imidazole-4-carboxamide?
The canonical SMILES for N-(benzenesulfonyl)-1-[3-bromo-5-(trifluoromethyl)phenyl]imidazole-4-carboxamide is O=C(NS(=O)(=O)c1ccccc1)c1cn(-c2cc(Br)cc(C(F)(F)F)c2)cn1.
What is the InChIKey of N-(benzenesulfonyl)-1-[3-bromo-5-(trifluoromethyl)phenyl]imidazole-4-carboxamide?
The InChIKey is VTDWTDAUAJPZCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11BrF3N3O3S/c18-12-6-11(17(19,20)21)7-13(8-12)24-9-15(22-10-24)16(25)23-28(26,27)14-4-2-1-3-5-14/h1-10H,(H,23,25).
What are the key properties of N-(benzenesulfonyl)-1-[3-bromo-5-(trifluoromethyl)phenyl]imidazole-4-carboxamide?
N-(benzenesulfonyl)-1-[3-bromo-5-(trifluoromethyl)phenyl]imidazole-4-carboxamide has a molecular weight of 474.26 g/mol, XLogP of 3.77, 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-bromo-5-(trifluoromethyl)phenyl]imidazole-4-carboxamide is sourced from PubChem (CID 139453195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).