2-bromo-N-[[2-(trifluoromethyl)phenyl]methyl]benzenesulfonamide

C14H11BrF3NO2S — CID 3855876

IUPAC2-bromo-N-[[2-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1ccccc1C(F)(F)F)c1ccccc1Br
InChIInChI=1S/C14H11BrF3NO2S/c15-12-7-3-4-8-13(12)22(20,21)19-9-10-5-1-2-6-11(10)14(16,17)18/h1-8,19H,9H2
InChIKeyRLGIXCWOUCNUHD-UHFFFAOYSA-N
MW394.21 g/mol
LogP3.95
Rot. Bonds4

About 2-bromo-N-[[2-(trifluoromethyl)phenyl]methyl]benzenesulfonamide

2-bromo-N-[[2-(trifluoromethyl)phenyl]methyl]benzenesulfonamide (PubChem CID 3855876) has the molecular formula C14H11BrF3NO2S and a molecular weight of 394.21 g/mol. Its IUPAC name is 2-bromo-N-[[2-(trifluoromethyl)phenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-[[2-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
PubChem CID3855876
Molecular FormulaC14H11BrF3NO2S
Molecular Weight394.21 g/mol
Exact Mass392.96
IUPAC Name2-bromo-N-[[2-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1ccccc1C(F)(F)F)c1ccccc1Br
InChIInChI=1S/C14H11BrF3NO2S/c15-12-7-3-4-8-13(12)22(20,21)19-9-10-5-1-2-6-11(10)14(16,17)18/h1-8,19H,9H2
InChIKeyRLGIXCWOUCNUHD-UHFFFAOYSA-N
XLogP3.95
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.21
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-bromo-N-[[2-(trifluoromethyl)phenyl]methyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-N-[(2-bromophenyl)methyl]benzenesulfonamide
CID 25146907
3,5-bis(trifluoromethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 3552945
5-(dimethylamino)-N-[[2-(trifluoromethyl)phenyl]methyl]naphthalene-1-sulfonamide
CID 74227857
2-bromo-N-[(2,3,4-trifluorophenyl)methyl]benzenesulfonamide
CID 4982675
1,5-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazole-4-sulfonamide
CID 35764474
N-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-4-sulfonamide
CID 62050076
4-propyl-N-[[2-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 3792229
2-bromo-N-[[4-(bromomethyl)phenyl]methyl]benzenesulfonamide
CID 107233934
2-bromo-N-[2-(2-fluorophenyl)ethyl]benzenesulfonamide
CID 9300997
N-ethyl-2-(trifluoromethyl)benzenesulfonamide
CID 43212836
2-chloro-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-sulfonamide
CID 62880621
N-[(5-amino-1H-pyrazol-4-yl)methyl]-2-(trifluoromethyl)benzenesulfonamide
CID 79531474

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[[2-(trifluoromethyl)phenyl]methyl]benzenesulfonamide?
The IUPAC name of 2-bromo-N-[[2-(trifluoromethyl)phenyl]methyl]benzenesulfonamide (CID 3855876) is 2-bromo-N-[[2-(trifluoromethyl)phenyl]methyl]benzenesulfonamide.
What is the SMILES notation for 2-bromo-N-[[2-(trifluoromethyl)phenyl]methyl]benzenesulfonamide?
The canonical SMILES for 2-bromo-N-[[2-(trifluoromethyl)phenyl]methyl]benzenesulfonamide is O=S(=O)(NCc1ccccc1C(F)(F)F)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-[[2-(trifluoromethyl)phenyl]methyl]benzenesulfonamide?
The InChIKey is RLGIXCWOUCNUHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrF3NO2S/c15-12-7-3-4-8-13(12)22(20,21)19-9-10-5-1-2-6-11(10)14(16,17)18/h1-8,19H,9H2.
What are the key properties of 2-bromo-N-[[2-(trifluoromethyl)phenyl]methyl]benzenesulfonamide?
2-bromo-N-[[2-(trifluoromethyl)phenyl]methyl]benzenesulfonamide has a molecular weight of 394.21 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[[2-(trifluoromethyl)phenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 3855876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).