N-(3-bromophenyl)-3-(trifluoromethyl)benzenesulfonamide

C13H9BrF3NO2S — CID 2486486

IUPACN-(3-bromophenyl)-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(Br)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H9BrF3NO2S/c14-10-4-2-5-11(8-10)18-21(19,20)12-6-1-3-9(7-12)13(15,16)17/h1-8,18H
InChIKeyHGTDNGBUXRYVEL-UHFFFAOYSA-N
MW380.19 g/mol
LogP4.27
Rot. Bonds3

About N-(3-bromophenyl)-3-(trifluoromethyl)benzenesulfonamide

N-(3-bromophenyl)-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 2486486) has the molecular formula C13H9BrF3NO2S and a molecular weight of 380.19 g/mol. Its IUPAC name is N-(3-bromophenyl)-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-3-(trifluoromethyl)benzenesulfonamide
PubChem CID2486486
Molecular FormulaC13H9BrF3NO2S
Molecular Weight380.19 g/mol
Exact Mass378.95
IUPAC NameN-(3-bromophenyl)-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(Br)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H9BrF3NO2S/c14-10-4-2-5-11(8-10)18-21(19,20)12-6-1-3-9(7-12)13(15,16)17/h1-8,18H
InChIKeyHGTDNGBUXRYVEL-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 N-(3-bromophenyl)-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(3-bromophenyl)-3-(trifluoromethyl)benzenesulfonamide (CID 2486486) is N-(3-bromophenyl)-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(3-bromophenyl)-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(3-bromophenyl)-3-(trifluoromethyl)benzenesulfonamide is O=S(=O)(Nc1cccc(Br)c1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(3-bromophenyl)-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is HGTDNGBUXRYVEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrF3NO2S/c14-10-4-2-5-11(8-10)18-21(19,20)12-6-1-3-9(7-12)13(15,16)17/h1-8,18H.
What are the key properties of N-(3-bromophenyl)-3-(trifluoromethyl)benzenesulfonamide?
N-(3-bromophenyl)-3-(trifluoromethyl)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 N-(3-bromophenyl)-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 2486486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).