2-bromo-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]benzenesulfonamide

C14H9BrF3N3O2S — CID 3695952

IUPAC2-bromo-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc2nc(C(F)(F)F)[nH]c2c1)c1ccccc1Br
InChIInChI=1S/C14H9BrF3N3O2S/c15-9-3-1-2-4-12(9)24(22,23)21-8-5-6-10-11(7-8)20-13(19-10)14(16,17)18/h1-7,21H,(H,19,20)
InChIKeyLOLUPCNUQGLCRX-UHFFFAOYSA-N
MW420.21 g/mol
LogP4.14
Rot. Bonds3

About 2-bromo-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]benzenesulfonamide

2-bromo-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]benzenesulfonamide (PubChem CID 3695952) has the molecular formula C14H9BrF3N3O2S and a molecular weight of 420.21 g/mol. Its IUPAC name is 2-bromo-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]benzenesulfonamide
PubChem CID3695952
Molecular FormulaC14H9BrF3N3O2S
Molecular Weight420.21 g/mol
Exact Mass418.96
IUPAC Name2-bromo-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc2nc(C(F)(F)F)[nH]c2c1)c1ccccc1Br
InChIInChI=1S/C14H9BrF3N3O2S/c15-9-3-1-2-4-12(9)24(22,23)21-8-5-6-10-11(7-8)20-13(19-10)14(16,17)18/h1-7,21H,(H,19,20)
InChIKeyLOLUPCNUQGLCRX-UHFFFAOYSA-N
XLogP4.14
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.21
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-(2-methyl-3H-benzimidazol-5-yl)benzenesulfonamide
CID 61215553
2,3,4,5,6-pentamethyl-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]benzenesulfonamide
CID 5102699
4-methyl-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]benzenesulfonamide
CID 1119769
3-methyl-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]benzenesulfonamide
CID 4669195
3-chloro-4-methyl-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]benzenesulfonamide
CID 3608077
1-(2-nitrophenyl)-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methanesulfonamide
CID 5159145
2,3-dimethyl-N-(2-methyl-3H-benzimidazol-5-yl)benzenesulfonamide
CID 142887451
2-bromo-N-(4-chloro-3-fluorophenyl)benzenesulfonamide
CID 47310409
2-bromo-N-(4-tert-butylphenyl)benzenesulfonamide
CID 3263186
N-(1H-indazol-6-yl)-2-(trifluoromethyl)benzenesulfonamide
CID 2445030
2-(trifluoromethyl)-3H-benzimidazole-5-carboxylic acid;hydrate
CID 21216041
naphthalene-1,5-disulfonic acid;bis(2-(trifluoromethyl)-1H-benzimidazole)
CID 171929578

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]benzenesulfonamide?
The IUPAC name of 2-bromo-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]benzenesulfonamide (CID 3695952) is 2-bromo-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]benzenesulfonamide.
What is the SMILES notation for 2-bromo-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]benzenesulfonamide?
The canonical SMILES for 2-bromo-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]benzenesulfonamide is O=S(=O)(Nc1ccc2nc(C(F)(F)F)[nH]c2c1)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]benzenesulfonamide?
The InChIKey is LOLUPCNUQGLCRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrF3N3O2S/c15-9-3-1-2-4-12(9)24(22,23)21-8-5-6-10-11(7-8)20-13(19-10)14(16,17)18/h1-7,21H,(H,19,20).
What are the key properties of 2-bromo-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]benzenesulfonamide?
2-bromo-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]benzenesulfonamide has a molecular weight of 420.21 g/mol, XLogP of 4.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 3695952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).