4-amino-N-[1-(3-chlorophenyl)ethyl]benzenesulfonamide

C14H15ClN2O2S — CID 61106355

IUPAC4-amino-N-[1-(3-chlorophenyl)ethyl]benzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccc(N)cc1)c1cccc(Cl)c1
InChIInChI=1S/C14H15ClN2O2S/c1-10(11-3-2-4-12(15)9-11)17-20(18,19)14-7-5-13(16)6-8-14/h2-10,17H,16H2,1H3
InChIKeyJGQQQOHTPPEPOD-UHFFFAOYSA-N
MW310.81 g/mol
LogP2.96
Rot. Bonds4

About 4-amino-N-[1-(3-chlorophenyl)ethyl]benzenesulfonamide

4-amino-N-[1-(3-chlorophenyl)ethyl]benzenesulfonamide (PubChem CID 61106355) has the molecular formula C14H15ClN2O2S and a molecular weight of 310.81 g/mol. Its IUPAC name is 4-amino-N-[1-(3-chlorophenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-[1-(3-chlorophenyl)ethyl]benzenesulfonamide
PubChem CID61106355
Molecular FormulaC14H15ClN2O2S
Molecular Weight310.81 g/mol
Exact Mass310.05
IUPAC Name4-amino-N-[1-(3-chlorophenyl)ethyl]benzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccc(N)cc1)c1cccc(Cl)c1
InChIInChI=1S/C14H15ClN2O2S/c1-10(11-3-2-4-12(15)9-11)17-20(18,19)14-7-5-13(16)6-8-14/h2-10,17H,16H2,1H3
InChIKeyJGQQQOHTPPEPOD-UHFFFAOYSA-N
XLogP2.96
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.81
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(3-aminophenyl)ethyl]-3-chlorobenzenesulfonamide
CID 43297970
5-amino-N-[1-(3-chlorophenyl)ethyl]-2-methylbenzenesulfonamide
CID 61106723
4-amino-N-[1-(3-methoxyphenyl)ethyl]benzenesulfonamide
CID 61126470
2-amino-N-[1-(3-chlorophenyl)ethyl]-4-methylbenzenesulfonamide
CID 61105225
2-amino-N-[1-(3-chlorophenyl)ethyl]-6-methylbenzenesulfonamide
CID 61105602
N-[1-(3-chlorophenyl)ethyl]-2-oxochromene-6-sulfonamide
CID 134002377
N-[(1R)-1-(3-chlorophenyl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
CID 9462686
N-[1-(3-chlorophenyl)ethyl]thiophene-2-sulfonamide
CID 51169508
4-[[(1S)-1-(3-chlorophenyl)ethyl]sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 81352467
(3R)-N-[(1S)-1-(3-chlorophenyl)ethyl]-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 9188708
2-bromo-N-[1-(3-chlorophenyl)ethyl]-4-fluorobenzenesulfonamide
CID 61074330
3-amino-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 30079896

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-(3-chlorophenyl)ethyl]benzenesulfonamide?
The IUPAC name of 4-amino-N-[1-(3-chlorophenyl)ethyl]benzenesulfonamide (CID 61106355) is 4-amino-N-[1-(3-chlorophenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-amino-N-[1-(3-chlorophenyl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-amino-N-[1-(3-chlorophenyl)ethyl]benzenesulfonamide is CC(NS(=O)(=O)c1ccc(N)cc1)c1cccc(Cl)c1.
What is the InChIKey of 4-amino-N-[1-(3-chlorophenyl)ethyl]benzenesulfonamide?
The InChIKey is JGQQQOHTPPEPOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2S/c1-10(11-3-2-4-12(15)9-11)17-20(18,19)14-7-5-13(16)6-8-14/h2-10,17H,16H2,1H3.
What are the key properties of 4-amino-N-[1-(3-chlorophenyl)ethyl]benzenesulfonamide?
4-amino-N-[1-(3-chlorophenyl)ethyl]benzenesulfonamide has a molecular weight of 310.81 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-(3-chlorophenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 61106355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).