4-(3-chloropropyl)-N-phenylbenzenesulfonamide

C15H16ClNO2S — CID 28719709

IUPAC4-(3-chloropropyl)-N-phenylbenzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1)c1ccc(CCCCl)cc1
InChIInChI=1S/C15H16ClNO2S/c16-12-4-5-13-8-10-15(11-9-13)20(18,19)17-14-6-2-1-3-7-14/h1-3,6-11,17H,4-5,12H2
InChIKeyPIJBJUBPVMTYGB-UHFFFAOYSA-N
MW309.82 g/mol
LogP3.66
Rot. Bonds6

About 4-(3-chloropropyl)-N-phenylbenzenesulfonamide

4-(3-chloropropyl)-N-phenylbenzenesulfonamide (PubChem CID 28719709) has the molecular formula C15H16ClNO2S and a molecular weight of 309.82 g/mol. Its IUPAC name is 4-(3-chloropropyl)-N-phenylbenzenesulfonamide.

Molecular Properties

Compound Name4-(3-chloropropyl)-N-phenylbenzenesulfonamide
PubChem CID28719709
Molecular FormulaC15H16ClNO2S
Molecular Weight309.82 g/mol
Exact Mass309.06
IUPAC Name4-(3-chloropropyl)-N-phenylbenzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1)c1ccc(CCCCl)cc1
InChIInChI=1S/C15H16ClNO2S/c16-12-4-5-13-8-10-15(11-9-13)20(18,19)17-14-6-2-1-3-7-14/h1-3,6-11,17H,4-5,12H2
InChIKeyPIJBJUBPVMTYGB-UHFFFAOYSA-N
XLogP3.66
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 ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(3-hydroxypropyl)-N-phenylbenzenesulfonamide
CID 39397991
4-(3-chloropropyl)-N-(2,6-dimethylphenyl)benzenesulfonamide
CID 52852570
N-(4-anilinophenyl)-4-hexylbenzenesulfonamide
CID 84552335
4-(3-chloropropyl)-N-[4-(cyanomethoxy)phenyl]benzenesulfonamide
CID 60621668
4-(2-chloroethyl)-N-(4-chlorophenyl)benzenesulfonamide
CID 43662747
4-(benzenesulfonamido)-N-phenylbenzenesulfonamide
CID 1333712
4-(2-chloroethyl)-N-(4-ethylphenyl)benzenesulfonamide
CID 28719478
4-(3-aminopropyl)-N-(4-chlorophenyl)benzenesulfonamide
CID 106060775
4-(benzenesulfonamido)-N-(2-phenylethyl)benzenesulfonamide
CID 5222462
4-ethylsulfonyl-N-phenylbenzenesulfonamide
CID 87026098
4-chloro-N-phenylbenzenesulfonamide;ethane
CID 91229233
4-pentyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzenesulfonamide
CID 3868589

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloropropyl)-N-phenylbenzenesulfonamide?
The IUPAC name of 4-(3-chloropropyl)-N-phenylbenzenesulfonamide (CID 28719709) is 4-(3-chloropropyl)-N-phenylbenzenesulfonamide.
What is the SMILES notation for 4-(3-chloropropyl)-N-phenylbenzenesulfonamide?
The canonical SMILES for 4-(3-chloropropyl)-N-phenylbenzenesulfonamide is O=S(=O)(Nc1ccccc1)c1ccc(CCCCl)cc1.
What is the InChIKey of 4-(3-chloropropyl)-N-phenylbenzenesulfonamide?
The InChIKey is PIJBJUBPVMTYGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2S/c16-12-4-5-13-8-10-15(11-9-13)20(18,19)17-14-6-2-1-3-7-14/h1-3,6-11,17H,4-5,12H2.
What are the key properties of 4-(3-chloropropyl)-N-phenylbenzenesulfonamide?
4-(3-chloropropyl)-N-phenylbenzenesulfonamide has a molecular weight of 309.82 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloropropyl)-N-phenylbenzenesulfonamide is sourced from PubChem (CID 28719709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).