3-chloro-N-(3-phenylpropyl)benzenesulfonamide

C15H16ClNO2S — CID 26948501

IUPAC3-chloro-N-(3-phenylpropyl)benzenesulfonamide
SMILESO=S(=O)(NCCCc1ccccc1)c1cccc(Cl)c1
InChIInChI=1S/C15H16ClNO2S/c16-14-9-4-10-15(12-14)20(18,19)17-11-5-8-13-6-2-1-3-7-13/h1-4,6-7,9-10,12,17H,5,8,11H2
InChIKeyVMLJCWDACADQSK-UHFFFAOYSA-N
MW309.82 g/mol
LogP3.25
Rot. Bonds6

About 3-chloro-N-(3-phenylpropyl)benzenesulfonamide

3-chloro-N-(3-phenylpropyl)benzenesulfonamide (PubChem CID 26948501) has the molecular formula C15H16ClNO2S and a molecular weight of 309.82 g/mol. Its IUPAC name is 3-chloro-N-(3-phenylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-(3-phenylpropyl)benzenesulfonamide
PubChem CID26948501
Molecular FormulaC15H16ClNO2S
Molecular Weight309.82 g/mol
Exact Mass309.06
IUPAC Name3-chloro-N-(3-phenylpropyl)benzenesulfonamide
SMILESO=S(=O)(NCCCc1ccccc1)c1cccc(Cl)c1
InChIInChI=1S/C15H16ClNO2S/c16-14-9-4-10-15(12-14)20(18,19)17-11-5-8-13-6-2-1-3-7-13/h1-4,6-7,9-10,12,17H,5,8,11H2
InChIKeyVMLJCWDACADQSK-UHFFFAOYSA-N
XLogP3.25
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.82
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-chloro-N-(3-phenylpropyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-3-chlorobenzenesulfonamide
CID 2405255
4-[(3-chlorophenyl)sulfonylamino]butanoic acid
CID 28829036
3-chloro-N-(5-hydroxypentyl)benzenesulfonamide
CID 69467627
N-(3-aminopropyl)-3-chlorobenzenesulfonamide;hydrochloride
CID 119962046
3-chloro-N-(5-iodopentyl)benzenesulfonamide
CID 107322870
3-chloro-N-[3-(methylamino)propyl]benzenesulfonamide
CID 43605915
3,4-difluoro-N-(4-phenylbutyl)benzenesulfonamide
CID 4509651
3-chloro-N-[2-(4-hydroxyphenyl)ethyl]benzenesulfonamide
CID 61017413
3-[2-[(3-chlorophenyl)sulfonylamino]ethyl]benzoic acid
CID 174539221
2-chloro-N-(3-phenylpropyl)pyrimidine-5-sulfonamide
CID 60905954
N-(3-phenylpropyl)-3-(trifluoromethoxy)benzenesulfonamide
CID 31687969
3-chloro-N-[2-(2-hydroxyphenyl)ethyl]benzenesulfonamide
CID 110605350

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(3-phenylpropyl)benzenesulfonamide?
The IUPAC name of 3-chloro-N-(3-phenylpropyl)benzenesulfonamide (CID 26948501) is 3-chloro-N-(3-phenylpropyl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-(3-phenylpropyl)benzenesulfonamide?
The canonical SMILES for 3-chloro-N-(3-phenylpropyl)benzenesulfonamide is O=S(=O)(NCCCc1ccccc1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-(3-phenylpropyl)benzenesulfonamide?
The InChIKey is VMLJCWDACADQSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2S/c16-14-9-4-10-15(12-14)20(18,19)17-11-5-8-13-6-2-1-3-7-13/h1-4,6-7,9-10,12,17H,5,8,11H2.
What are the key properties of 3-chloro-N-(3-phenylpropyl)benzenesulfonamide?
3-chloro-N-(3-phenylpropyl)benzenesulfonamide has a molecular weight of 309.82 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(3-phenylpropyl)benzenesulfonamide is sourced from PubChem (CID 26948501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).