4-bromo-N-(1-phenylethyl)benzenesulfonamide

C14H14BrNO2S — CID 2841713

IUPAC4-bromo-N-(1-phenylethyl)benzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C14H14BrNO2S/c1-11(12-5-3-2-4-6-12)16-19(17,18)14-9-7-13(15)8-10-14/h2-11,16H,1H3
InChIKeyWJQPTAVUAWEPCK-UHFFFAOYSA-N
MW340.24 g/mol
LogP3.49
Rot. Bonds4

About 4-bromo-N-(1-phenylethyl)benzenesulfonamide

4-bromo-N-(1-phenylethyl)benzenesulfonamide (PubChem CID 2841713) has the molecular formula C14H14BrNO2S and a molecular weight of 340.24 g/mol. Its IUPAC name is 4-bromo-N-(1-phenylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-(1-phenylethyl)benzenesulfonamide
PubChem CID2841713
Molecular FormulaC14H14BrNO2S
Molecular Weight340.24 g/mol
Exact Mass338.99
IUPAC Name4-bromo-N-(1-phenylethyl)benzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C14H14BrNO2S/c1-11(12-5-3-2-4-6-12)16-19(17,18)14-9-7-13(15)8-10-14/h2-11,16H,1H3
InChIKeyWJQPTAVUAWEPCK-UHFFFAOYSA-N
XLogP3.49
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.24
LogP ≤ 53.49
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-phenylethyl)benzenesulfonamide?
The IUPAC name of 4-bromo-N-(1-phenylethyl)benzenesulfonamide (CID 2841713) is 4-bromo-N-(1-phenylethyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-(1-phenylethyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-N-(1-phenylethyl)benzenesulfonamide is CC(NS(=O)(=O)c1ccc(Br)cc1)c1ccccc1.
What is the InChIKey of 4-bromo-N-(1-phenylethyl)benzenesulfonamide?
The InChIKey is WJQPTAVUAWEPCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO2S/c1-11(12-5-3-2-4-6-12)16-19(17,18)14-9-7-13(15)8-10-14/h2-11,16H,1H3.
What are the key properties of 4-bromo-N-(1-phenylethyl)benzenesulfonamide?
4-bromo-N-(1-phenylethyl)benzenesulfonamide has a molecular weight of 340.24 g/mol, XLogP of 3.49, 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-phenylethyl)benzenesulfonamide is sourced from PubChem (CID 2841713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).