4-bromo-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide

C13H9BrF3NO2S — CID 2212078

IUPAC4-bromo-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(C(F)(F)F)cc1)c1ccc(Br)cc1
InChIInChI=1S/C13H9BrF3NO2S/c14-10-3-7-12(8-4-10)21(19,20)18-11-5-1-9(2-6-11)13(15,16)17/h1-8,18H
InChIKeyXKWHSSRKDZYUEN-UHFFFAOYSA-N
MW380.19 g/mol
LogP4.27
Rot. Bonds3

About 4-bromo-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide

4-bromo-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide (PubChem CID 2212078) has the molecular formula C13H9BrF3NO2S and a molecular weight of 380.19 g/mol. Its IUPAC name is 4-bromo-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
PubChem CID2212078
Molecular FormulaC13H9BrF3NO2S
Molecular Weight380.19 g/mol
Exact Mass378.95
IUPAC Name4-bromo-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(C(F)(F)F)cc1)c1ccc(Br)cc1
InChIInChI=1S/C13H9BrF3NO2S/c14-10-3-7-12(8-4-10)21(19,20)18-11-5-1-9(2-6-11)13(15,16)17/h1-8,18H
InChIKeyXKWHSSRKDZYUEN-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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Related Compounds

4-bromo-3-fluoro-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 97161992
4-propan-2-yl-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3791590
N-(4-bromophenyl)-4-iodobenzenesulfonamide
CID 990484
4-bromo-N-(4-hydroxyphenyl)benzenesulfonamide
CID 875203
3,5-difluoro-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 26970283
methyl N-[4-[[4-(trifluoromethyl)phenyl]sulfamoyl]phenyl]carbamate
CID 21239301
N-[4-[[3-bromo-5-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-3,5-dichlorobenzenesulfonamide
CID 175722887
N-[4-(2-sulfanylacetyl)phenyl]-4-(trifluoromethyl)benzenesulfonamide
CID 11462996
4-bromo-N-[4-(bromomethyl)phenyl]benzenesulfonamide
CID 113271541
4-(bromomethyl)-N-(4-bromophenyl)benzenesulfonamide
CID 65480206
4-bromo-N-[4-(propylamino)phenyl]benzenesulfonamide
CID 112979761
4-bromo-N-[2-nitro-5-(trifluoromethyl)phenyl]benzenesulfonamide
CID 174931196

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide?
The IUPAC name of 4-bromo-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide (CID 2212078) is 4-bromo-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-bromo-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide is O=S(=O)(Nc1ccc(C(F)(F)F)cc1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide?
The InChIKey is XKWHSSRKDZYUEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrF3NO2S/c14-10-3-7-12(8-4-10)21(19,20)18-11-5-1-9(2-6-11)13(15,16)17/h1-8,18H.
What are the key properties of 4-bromo-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide?
4-bromo-N-[4-(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 4-bromo-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 2212078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).