4-[2-[(4-chlorophenyl)methylamino]ethyl]benzenesulfonamide

C15H17ClN2O2S — CID 4722330

IUPAC4-[2-[(4-chlorophenyl)methylamino]ethyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CCNCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H17ClN2O2S/c16-14-5-1-13(2-6-14)11-18-10-9-12-3-7-15(8-4-12)21(17,19)20/h1-8,18H,9-11H2,(H2,17,19,20)
InChIKeyOEVYSRGAVMIHLR-UHFFFAOYSA-N
MW324.83 g/mol
LogP2.32
Rot. Bonds6

About 4-[2-[(4-chlorophenyl)methylamino]ethyl]benzenesulfonamide

4-[2-[(4-chlorophenyl)methylamino]ethyl]benzenesulfonamide (PubChem CID 4722330) has the molecular formula C15H17ClN2O2S and a molecular weight of 324.83 g/mol. Its IUPAC name is 4-[2-[(4-chlorophenyl)methylamino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-[(4-chlorophenyl)methylamino]ethyl]benzenesulfonamide
PubChem CID4722330
Molecular FormulaC15H17ClN2O2S
Molecular Weight324.83 g/mol
Exact Mass324.07
IUPAC Name4-[2-[(4-chlorophenyl)methylamino]ethyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CCNCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H17ClN2O2S/c16-14-5-1-13(2-6-14)11-18-10-9-12-3-7-15(8-4-12)21(17,19)20/h1-8,18H,9-11H2,(H2,17,19,20)
InChIKeyOEVYSRGAVMIHLR-UHFFFAOYSA-N
XLogP2.32
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.83
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-Benzyl-4-chlorobenzenesulfonamide
CID 346194
N4-Benzyl-N1-[(4-chlorophenyl)methyl]-N1-cyclopentylbenzene-1,4-disulfonamide
CID 1176971
2-(4-chlorophenyl)-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 3970972
N-(4-chlorobenzyl)-2-{[(4-methylphenyl)sulfonyl]amino}propanamide
CID 2947130
4-(2-{[(4-Chlorophenyl)sulfonyl]amino}ethyl)benzenesulfonamide
CID 2904660
4-{2-[(2-Phenylethyl)amino]ethyl}benzenesulfonamide hydrochloride
CID 17158039
N-[3-[benzyl(methyl)amino]propyl]-4-chlorobenzenesulfonamide
CID 52149645
4-chloro-N-[2-phenyl-2-(piperidin-1-yl)ethyl]benzene-1-sulfonamide
CID 3116171
N-benzyl-3-chlorobenzene-1-sulfonamide
CID 2405255
N-(4-chlorobenzyl)-N-methylbenzene-1,4-disulfonamide
CID 17414308
N-(4-chlorobenzyl)-N~2~-(2-phenylethyl)-N~2~-(phenylsulfonyl)glycinamide
CID 1343866
4-{2-[(2-Fluorobenzyl)amino]ethyl}benzenesulfonamide
CID 1817956

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(4-chlorophenyl)methylamino]ethyl]benzenesulfonamide?
The IUPAC name of 4-[2-[(4-chlorophenyl)methylamino]ethyl]benzenesulfonamide (CID 4722330) is 4-[2-[(4-chlorophenyl)methylamino]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-[(4-chlorophenyl)methylamino]ethyl]benzenesulfonamide?
The canonical SMILES for 4-[2-[(4-chlorophenyl)methylamino]ethyl]benzenesulfonamide is NS(=O)(=O)c1ccc(CCNCc2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-[2-[(4-chlorophenyl)methylamino]ethyl]benzenesulfonamide?
The InChIKey is OEVYSRGAVMIHLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2S/c16-14-5-1-13(2-6-14)11-18-10-9-12-3-7-15(8-4-12)21(17,19)20/h1-8,18H,9-11H2,(H2,17,19,20).
What are the key properties of 4-[2-[(4-chlorophenyl)methylamino]ethyl]benzenesulfonamide?
4-[2-[(4-chlorophenyl)methylamino]ethyl]benzenesulfonamide has a molecular weight of 324.83 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(4-chlorophenyl)methylamino]ethyl]benzenesulfonamide is sourced from PubChem (CID 4722330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).