N-(3-phenylpropyl)benzenesulfonamide

C15H17NO2S — CID 3600699

IUPACN-(3-phenylpropyl)benzenesulfonamide
SMILESO=S(=O)(NCCCc1ccccc1)c1ccccc1
InChIInChI=1S/C15H17NO2S/c17-19(18,15-11-5-2-6-12-15)16-13-7-10-14-8-3-1-4-9-14/h1-6,8-9,11-12,16H,7,10,13H2
InChIKeyXRCGAVNTXAUYFZ-UHFFFAOYSA-N
MW275.37 g/mol
LogP2.60
Rot. Bonds6

About N-(3-phenylpropyl)benzenesulfonamide

N-(3-phenylpropyl)benzenesulfonamide (PubChem CID 3600699) has the molecular formula C15H17NO2S and a molecular weight of 275.37 g/mol. Its IUPAC name is N-(3-phenylpropyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-phenylpropyl)benzenesulfonamide
PubChem CID3600699
Molecular FormulaC15H17NO2S
Molecular Weight275.37 g/mol
Exact Mass275.10
IUPAC NameN-(3-phenylpropyl)benzenesulfonamide
SMILESO=S(=O)(NCCCc1ccccc1)c1ccccc1
InChIInChI=1S/C15H17NO2S/c17-19(18,15-11-5-2-6-12-15)16-13-7-10-14-8-3-1-4-9-14/h1-6,8-9,11-12,16H,7,10,13H2
InChIKeyXRCGAVNTXAUYFZ-UHFFFAOYSA-N
XLogP2.60
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 52.60
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 N-(3-phenylpropyl)benzenesulfonamide?
The IUPAC name of N-(3-phenylpropyl)benzenesulfonamide (CID 3600699) is N-(3-phenylpropyl)benzenesulfonamide.
What is the SMILES notation for N-(3-phenylpropyl)benzenesulfonamide?
The canonical SMILES for N-(3-phenylpropyl)benzenesulfonamide is O=S(=O)(NCCCc1ccccc1)c1ccccc1.
What is the InChIKey of N-(3-phenylpropyl)benzenesulfonamide?
The InChIKey is XRCGAVNTXAUYFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S/c17-19(18,15-11-5-2-6-12-15)16-13-7-10-14-8-3-1-4-9-14/h1-6,8-9,11-12,16H,7,10,13H2.
What are the key properties of N-(3-phenylpropyl)benzenesulfonamide?
N-(3-phenylpropyl)benzenesulfonamide has a molecular weight of 275.37 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylpropyl)benzenesulfonamide is sourced from PubChem (CID 3600699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).