4-bromo-N-(3-phenylpropyl)benzenesulfonamide

C15H16BrNO2S — CID 2165962

IUPAC4-bromo-N-(3-phenylpropyl)benzenesulfonamide
SMILESO=S(=O)(NCCCc1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C15H16BrNO2S/c16-14-8-10-15(11-9-14)20(18,19)17-12-4-7-13-5-2-1-3-6-13/h1-3,5-6,8-11,17H,4,7,12H2
InChIKeyNOTLZJBVJPGYFK-UHFFFAOYSA-N
MW354.27 g/mol
LogP3.36
Rot. Bonds6

About 4-bromo-N-(3-phenylpropyl)benzenesulfonamide

4-bromo-N-(3-phenylpropyl)benzenesulfonamide (PubChem CID 2165962) has the molecular formula C15H16BrNO2S and a molecular weight of 354.27 g/mol. Its IUPAC name is 4-bromo-N-(3-phenylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-(3-phenylpropyl)benzenesulfonamide
PubChem CID2165962
Molecular FormulaC15H16BrNO2S
Molecular Weight354.27 g/mol
Exact Mass353.01
IUPAC Name4-bromo-N-(3-phenylpropyl)benzenesulfonamide
SMILESO=S(=O)(NCCCc1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C15H16BrNO2S/c16-14-8-10-15(11-9-14)20(18,19)17-12-4-7-13-5-2-1-3-6-13/h1-3,5-6,8-11,17H,4,7,12H2
InChIKeyNOTLZJBVJPGYFK-UHFFFAOYSA-N
XLogP3.36
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.27
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(3-phenylpropyl)benzenesulfonamide?
The IUPAC name of 4-bromo-N-(3-phenylpropyl)benzenesulfonamide (CID 2165962) is 4-bromo-N-(3-phenylpropyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-(3-phenylpropyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-N-(3-phenylpropyl)benzenesulfonamide is O=S(=O)(NCCCc1ccccc1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-(3-phenylpropyl)benzenesulfonamide?
The InChIKey is NOTLZJBVJPGYFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO2S/c16-14-8-10-15(11-9-14)20(18,19)17-12-4-7-13-5-2-1-3-6-13/h1-3,5-6,8-11,17H,4,7,12H2.
What are the key properties of 4-bromo-N-(3-phenylpropyl)benzenesulfonamide?
4-bromo-N-(3-phenylpropyl)benzenesulfonamide has a molecular weight of 354.27 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(3-phenylpropyl)benzenesulfonamide is sourced from PubChem (CID 2165962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).