4-bromo-N-[2-(4-fluorophenyl)ethyl]benzenesulfonamide

C14H13BrFNO2S — CID 1320970

IUPAC4-bromo-N-[2-(4-fluorophenyl)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCc1ccc(F)cc1)c1ccc(Br)cc1
InChIInChI=1S/C14H13BrFNO2S/c15-12-3-7-14(8-4-12)20(18,19)17-10-9-11-1-5-13(16)6-2-11/h1-8,17H,9-10H2
InChIKeyLLLAHFNANYRWQX-UHFFFAOYSA-N
MW358.23 g/mol
LogP3.11
Rot. Bonds5

About 4-bromo-N-[2-(4-fluorophenyl)ethyl]benzenesulfonamide

4-bromo-N-[2-(4-fluorophenyl)ethyl]benzenesulfonamide (PubChem CID 1320970) has the molecular formula C14H13BrFNO2S and a molecular weight of 358.23 g/mol. Its IUPAC name is 4-bromo-N-[2-(4-fluorophenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-[2-(4-fluorophenyl)ethyl]benzenesulfonamide
PubChem CID1320970
Molecular FormulaC14H13BrFNO2S
Molecular Weight358.23 g/mol
Exact Mass356.98
IUPAC Name4-bromo-N-[2-(4-fluorophenyl)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCc1ccc(F)cc1)c1ccc(Br)cc1
InChIInChI=1S/C14H13BrFNO2S/c15-12-3-7-14(8-4-12)20(18,19)17-10-9-11-1-5-13(16)6-2-11/h1-8,17H,9-10H2
InChIKeyLLLAHFNANYRWQX-UHFFFAOYSA-N
XLogP3.11
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.23
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromophenyl)-N-[2-(4-fluorophenyl)ethyl]methanesulfonamide
CID 99817476
4-acetyl-N-[2-(4-fluorophenyl)ethyl]benzenesulfonamide
CID 7510309
N-[2-(3,4-dichlorophenyl)ethyl]-4-fluorobenzenesulfonamide
CID 3716160
4-bromo-N-[2-(2-fluorophenyl)ethyl]benzenesulfonamide
CID 9300920
N-[2-(4-butanoylphenyl)ethyl]-4-fluorobenzenesulfonamide
CID 70422383
4-fluoro-N-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]benzenesulfonamide
CID 110791236
4-[2-(4-fluorophenyl)ethylsulfamoyl]-N-propan-2-ylbenzamide
CID 109058149
4-fluoro-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]benzenesulfonamide
CID 16890263
4-bromo-N-[8-[(4-bromophenyl)sulfonylamino]octyl]benzenesulfonamide
CID 3544635
4-bromo-N-[2-(2-hydroxyphenyl)ethyl]benzenesulfonamide
CID 110605294
4-fluoro-N-(4-phenylbutyl)benzenesulfonamide
CID 3765011
N-[2-(3-chlorophenyl)ethyl]-4-fluorobenzenesulfonamide
CID 897615

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-(4-fluorophenyl)ethyl]benzenesulfonamide?
The IUPAC name of 4-bromo-N-[2-(4-fluorophenyl)ethyl]benzenesulfonamide (CID 1320970) is 4-bromo-N-[2-(4-fluorophenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-[2-(4-fluorophenyl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-bromo-N-[2-(4-fluorophenyl)ethyl]benzenesulfonamide is O=S(=O)(NCCc1ccc(F)cc1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[2-(4-fluorophenyl)ethyl]benzenesulfonamide?
The InChIKey is LLLAHFNANYRWQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFNO2S/c15-12-3-7-14(8-4-12)20(18,19)17-10-9-11-1-5-13(16)6-2-11/h1-8,17H,9-10H2.
What are the key properties of 4-bromo-N-[2-(4-fluorophenyl)ethyl]benzenesulfonamide?
4-bromo-N-[2-(4-fluorophenyl)ethyl]benzenesulfonamide has a molecular weight of 358.23 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-(4-fluorophenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 1320970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).