4-bromo-3-fluoro-N-[(1R)-1-phenylethyl]benzenesulfonamide

C14H13BrFNO2S — CID 103697593

IUPAC4-bromo-3-fluoro-N-[(1R)-1-phenylethyl]benzenesulfonamide
SMILESC[C@@H](NS(=O)(=O)c1ccc(Br)c(F)c1)c1ccccc1
InChIInChI=1S/C14H13BrFNO2S/c1-10(11-5-3-2-4-6-11)17-20(18,19)12-7-8-13(15)14(16)9-12/h2-10,17H,1H3/t10-/m1/s1
InChIKeyFEQPRPBDJGMPLT-SNVBAGLBSA-N
MW358.23 g/mol
LogP3.63
Rot. Bonds4

About 4-bromo-3-fluoro-N-[(1R)-1-phenylethyl]benzenesulfonamide

4-bromo-3-fluoro-N-[(1R)-1-phenylethyl]benzenesulfonamide (PubChem CID 103697593) has the molecular formula C14H13BrFNO2S and a molecular weight of 358.23 g/mol. Its IUPAC name is 4-bromo-3-fluoro-N-[(1R)-1-phenylethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-3-fluoro-N-[(1R)-1-phenylethyl]benzenesulfonamide
PubChem CID103697593
Molecular FormulaC14H13BrFNO2S
Molecular Weight358.23 g/mol
Exact Mass356.98
IUPAC Name4-bromo-3-fluoro-N-[(1R)-1-phenylethyl]benzenesulfonamide
SMILESC[C@@H](NS(=O)(=O)c1ccc(Br)c(F)c1)c1ccccc1
InChIInChI=1S/C14H13BrFNO2S/c1-10(11-5-3-2-4-6-11)17-20(18,19)12-7-8-13(15)14(16)9-12/h2-10,17H,1H3/t10-/m1/s1
InChIKeyFEQPRPBDJGMPLT-SNVBAGLBSA-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-[(1R)-1-(4-bromophenyl)ethyl]-3-fluorobenzenesulfonamide
CID 107868995
4-bromo-3-methyl-N-(1-phenylethyl)benzenesulfonamide
CID 42998950
4-bromo-3-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzenesulfonamide
CID 103825685
4-fluoro-3-methoxy-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 935410
3,4-dimethyl-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 2408945
4-bromo-3-fluoro-N-(4-methylpentan-2-yl)benzenesulfonamide
CID 107649944
4-bromo-3-fluoro-N-(1-hydroxypropan-2-yl)benzenesulfonamide
CID 103836294
4-amino-N-[(1R)-1-(4-bromophenyl)ethyl]-3-fluorobenzenesulfonamide
CID 107868868
3,4-dichloro-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 7038002
3-(1-hydroxyethyl)-N-(1-phenylethyl)benzenesulfonamide
CID 43507304
4-bromo-3-fluoro-N-pentan-3-ylbenzenesulfonamide
CID 103697155
N-(1-phenylethyl)benzenesulfonamide;hydrochloride
CID 70281153

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-fluoro-N-[(1R)-1-phenylethyl]benzenesulfonamide?
The IUPAC name of 4-bromo-3-fluoro-N-[(1R)-1-phenylethyl]benzenesulfonamide (CID 103697593) is 4-bromo-3-fluoro-N-[(1R)-1-phenylethyl]benzenesulfonamide.
What is the SMILES notation for 4-bromo-3-fluoro-N-[(1R)-1-phenylethyl]benzenesulfonamide?
The canonical SMILES for 4-bromo-3-fluoro-N-[(1R)-1-phenylethyl]benzenesulfonamide is C[C@@H](NS(=O)(=O)c1ccc(Br)c(F)c1)c1ccccc1.
What is the InChIKey of 4-bromo-3-fluoro-N-[(1R)-1-phenylethyl]benzenesulfonamide?
The InChIKey is FEQPRPBDJGMPLT-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H13BrFNO2S/c1-10(11-5-3-2-4-6-11)17-20(18,19)12-7-8-13(15)14(16)9-12/h2-10,17H,1H3/t10-/m1/s1.
What are the key properties of 4-bromo-3-fluoro-N-[(1R)-1-phenylethyl]benzenesulfonamide?
4-bromo-3-fluoro-N-[(1R)-1-phenylethyl]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-3-fluoro-N-[(1R)-1-phenylethyl]benzenesulfonamide is sourced from PubChem (CID 103697593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).