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

C13H9BrF3NO2S — CID 53416686

IUPAC2-bromo-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1C(F)(F)F)c1ccccc1Br
InChIInChI=1S/C13H9BrF3NO2S/c14-10-6-2-4-8-12(10)21(19,20)18-11-7-3-1-5-9(11)13(15,16)17/h1-8,18H
InChIKeyIIVQYDRLYFOGMX-UHFFFAOYSA-N
MW380.19 g/mol
LogP4.27
Rot. Bonds3

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

2-bromo-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide (PubChem CID 53416686) has the molecular formula C13H9BrF3NO2S and a molecular weight of 380.19 g/mol. Its IUPAC name is 2-bromo-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
PubChem CID53416686
Molecular FormulaC13H9BrF3NO2S
Molecular Weight380.19 g/mol
Exact Mass378.95
IUPAC Name2-bromo-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1C(F)(F)F)c1ccccc1Br
InChIInChI=1S/C13H9BrF3NO2S/c14-10-6-2-4-8-12(10)21(19,20)18-11-7-3-1-5-9(11)13(15,16)17/h1-8,18H
InChIKeyIIVQYDRLYFOGMX-UHFFFAOYSA-N
XLogP4.27
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.19
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide?
The IUPAC name of 2-bromo-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide (CID 53416686) is 2-bromo-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 2-bromo-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 2-bromo-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide is O=S(=O)(Nc1ccccc1C(F)(F)F)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide?
The InChIKey is IIVQYDRLYFOGMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrF3NO2S/c14-10-6-2-4-8-12(10)21(19,20)18-11-7-3-1-5-9(11)13(15,16)17/h1-8,18H.
What are the key properties of 2-bromo-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide?
2-bromo-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide has a molecular weight of 380.19 g/mol, XLogP of 4.27, 3 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]benzenesulfonamide is sourced from PubChem (CID 53416686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).