4-bromo-N-[1-(2-fluorophenyl)ethyl]benzenesulfonamide

C14H13BrFNO2S — CID 42913022

IUPAC4-bromo-N-[1-(2-fluorophenyl)ethyl]benzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccc(Br)cc1)c1ccccc1F
InChIInChI=1S/C14H13BrFNO2S/c1-10(13-4-2-3-5-14(13)16)17-20(18,19)12-8-6-11(15)7-9-12/h2-10,17H,1H3
InChIKeyRTJCAEOZXBDTMZ-UHFFFAOYSA-N
MW358.23 g/mol
LogP3.63
Rot. Bonds4

About 4-bromo-N-[1-(2-fluorophenyl)ethyl]benzenesulfonamide

4-bromo-N-[1-(2-fluorophenyl)ethyl]benzenesulfonamide (PubChem CID 42913022) has the molecular formula C14H13BrFNO2S and a molecular weight of 358.23 g/mol. Its IUPAC name is 4-bromo-N-[1-(2-fluorophenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-[1-(2-fluorophenyl)ethyl]benzenesulfonamide
PubChem CID42913022
Molecular FormulaC14H13BrFNO2S
Molecular Weight358.23 g/mol
Exact Mass356.98
IUPAC Name4-bromo-N-[1-(2-fluorophenyl)ethyl]benzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccc(Br)cc1)c1ccccc1F
InChIInChI=1S/C14H13BrFNO2S/c1-10(13-4-2-3-5-14(13)16)17-20(18,19)12-8-6-11(15)7-9-12/h2-10,17H,1H3
InChIKeyRTJCAEOZXBDTMZ-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[1-(2-fluorophenyl)ethyl]benzenesulfonamide?
The IUPAC name of 4-bromo-N-[1-(2-fluorophenyl)ethyl]benzenesulfonamide (CID 42913022) is 4-bromo-N-[1-(2-fluorophenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-[1-(2-fluorophenyl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-bromo-N-[1-(2-fluorophenyl)ethyl]benzenesulfonamide is CC(NS(=O)(=O)c1ccc(Br)cc1)c1ccccc1F.
What is the InChIKey of 4-bromo-N-[1-(2-fluorophenyl)ethyl]benzenesulfonamide?
The InChIKey is RTJCAEOZXBDTMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFNO2S/c1-10(13-4-2-3-5-14(13)16)17-20(18,19)12-8-6-11(15)7-9-12/h2-10,17H,1H3.
What are the key properties of 4-bromo-N-[1-(2-fluorophenyl)ethyl]benzenesulfonamide?
4-bromo-N-[1-(2-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-[1-(2-fluorophenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 42913022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).