4-bromo-N-[(1S)-1-(4-fluorophenyl)ethyl]benzenesulfonamide

C14H13BrFNO2S — CID 7937746

IUPAC4-bromo-N-[(1S)-1-(4-fluorophenyl)ethyl]benzenesulfonamide
SMILESC[C@H](NS(=O)(=O)c1ccc(Br)cc1)c1ccc(F)cc1
InChIInChI=1S/C14H13BrFNO2S/c1-10(11-2-6-13(16)7-3-11)17-20(18,19)14-8-4-12(15)5-9-14/h2-10,17H,1H3/t10-/m0/s1
InChIKeyOSCUNSOGUYFYGR-JTQLQIEISA-N
MW358.23 g/mol
LogP3.63
Rot. Bonds4

About 4-bromo-N-[(1S)-1-(4-fluorophenyl)ethyl]benzenesulfonamide

4-bromo-N-[(1S)-1-(4-fluorophenyl)ethyl]benzenesulfonamide (PubChem CID 7937746) has the molecular formula C14H13BrFNO2S and a molecular weight of 358.23 g/mol. Its IUPAC name is 4-bromo-N-[(1S)-1-(4-fluorophenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-[(1S)-1-(4-fluorophenyl)ethyl]benzenesulfonamide
PubChem CID7937746
Molecular FormulaC14H13BrFNO2S
Molecular Weight358.23 g/mol
Exact Mass356.98
IUPAC Name4-bromo-N-[(1S)-1-(4-fluorophenyl)ethyl]benzenesulfonamide
SMILESC[C@H](NS(=O)(=O)c1ccc(Br)cc1)c1ccc(F)cc1
InChIInChI=1S/C14H13BrFNO2S/c1-10(11-2-6-13(16)7-3-11)17-20(18,19)14-8-4-12(15)5-9-14/h2-10,17H,1H3/t10-/m0/s1
InChIKeyOSCUNSOGUYFYGR-JTQLQIEISA-N
XLogP3.63
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.23
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-[1-(4-methylsulfonylphenyl)ethyl]benzenesulfonamide
CID 133165405
4-bromo-N-[1-(4-butan-2-ylphenyl)ethyl]benzenesulfonamide
CID 22204714
2-bromo-N-[(1R)-1-(4-bromophenyl)ethyl]-4-fluorobenzenesulfonamide
CID 107868985
4-bromo-N-[(1R)-1-(4-bromophenyl)ethyl]-3-fluorobenzenesulfonamide
CID 107868995
4-fluoro-N-[1-(4-phenylphenyl)ethyl]benzenesulfonamide
CID 171777388
4-amino-N-[(1R)-1-(4-bromophenyl)ethyl]-3-fluorobenzenesulfonamide
CID 107868868
2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-4-fluorobenzenesulfonamide
CID 107869105
N-[1-(4-bromophenyl)ethyl]-2-chloro-4-fluorobenzenesulfonamide
CID 3463854
4-fluoro-N-[1-(4-propylphenyl)ethyl]benzenesulfonamide
CID 22204665
4-bromo-N-[1-(2,6-difluorophenyl)ethyl]benzenesulfonamide
CID 61067105
4-bromo-N-(1-thiophen-3-ylethyl)benzenesulfonamide
CID 62844441
N-[(1R)-1-(4-bromophenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 81354443

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(1S)-1-(4-fluorophenyl)ethyl]benzenesulfonamide?
The IUPAC name of 4-bromo-N-[(1S)-1-(4-fluorophenyl)ethyl]benzenesulfonamide (CID 7937746) is 4-bromo-N-[(1S)-1-(4-fluorophenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-[(1S)-1-(4-fluorophenyl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-bromo-N-[(1S)-1-(4-fluorophenyl)ethyl]benzenesulfonamide is C[C@H](NS(=O)(=O)c1ccc(Br)cc1)c1ccc(F)cc1.
What is the InChIKey of 4-bromo-N-[(1S)-1-(4-fluorophenyl)ethyl]benzenesulfonamide?
The InChIKey is OSCUNSOGUYFYGR-JTQLQIEISA-N. The full InChI is InChI=1S/C14H13BrFNO2S/c1-10(11-2-6-13(16)7-3-11)17-20(18,19)14-8-4-12(15)5-9-14/h2-10,17H,1H3/t10-/m0/s1.
What are the key properties of 4-bromo-N-[(1S)-1-(4-fluorophenyl)ethyl]benzenesulfonamide?
4-bromo-N-[(1S)-1-(4-fluorophenyl)ethyl]benzenesulfonamide has a molecular weight of 358.23 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(1S)-1-(4-fluorophenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 7937746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).