3-[1-(3-chlorophenyl)ethylamino]-N-methylbenzenesulfonamide

C15H17ClN2O2S — CID 43688525

IUPAC3-[1-(3-chlorophenyl)ethylamino]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cccc(NC(C)c2cccc(Cl)c2)c1
InChIInChI=1S/C15H17ClN2O2S/c1-11(12-5-3-6-13(16)9-12)18-14-7-4-8-15(10-14)21(19,20)17-2/h3-11,17-18H,1-2H3
InChIKeyPCFBZIUXSWRHNT-UHFFFAOYSA-N
MW324.83 g/mol
LogP3.42
Rot. Bonds5

About 3-[1-(3-chlorophenyl)ethylamino]-N-methylbenzenesulfonamide

3-[1-(3-chlorophenyl)ethylamino]-N-methylbenzenesulfonamide (PubChem CID 43688525) has the molecular formula C15H17ClN2O2S and a molecular weight of 324.83 g/mol. Its IUPAC name is 3-[1-(3-chlorophenyl)ethylamino]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-[1-(3-chlorophenyl)ethylamino]-N-methylbenzenesulfonamide
PubChem CID43688525
Molecular FormulaC15H17ClN2O2S
Molecular Weight324.83 g/mol
Exact Mass324.07
IUPAC Name3-[1-(3-chlorophenyl)ethylamino]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cccc(NC(C)c2cccc(Cl)c2)c1
InChIInChI=1S/C15H17ClN2O2S/c1-11(12-5-3-6-13(16)9-12)18-14-7-4-8-15(10-14)21(19,20)17-2/h3-11,17-18H,1-2H3
InChIKeyPCFBZIUXSWRHNT-UHFFFAOYSA-N
XLogP3.42
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.83
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[1-(3-chlorophenyl)ethylamino]-N-methylbenzenesulfonamide 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

3-[(1R)-1-(3-fluoroanilino)ethyl]-N-methylbenzenesulfonamide
CID 97337885
N-[1-(3-chlorophenyl)ethyl]-3-fluoroaniline
CID 43104012
3-bromo-N-[1-(3-chlorophenyl)ethyl]aniline
CID 43100997
3,5-dichloro-N-[1-(3-chlorophenyl)ethyl]aniline
CID 43106074
N-methyl-4-[1-(3-methylphenyl)ethylamino]benzenesulfonamide
CID 43790317
N-methyl-3-(4-methylpentan-2-ylamino)benzenesulfonamide
CID 43688554
[3-[1-(3-chlorophenyl)ethylamino]phenyl]methanol
CID 43715072
N-[1-(3-chlorophenyl)ethyl]-4-propan-2-ylaniline
CID 43101592
2-amino-4-[1-(3-chlorophenyl)ethylamino]benzenesulfonamide
CID 79466950
N-methyl-3-(methylamino)benzenesulfonamide
CID 63089854
[4-[1-(3-chlorophenyl)ethylamino]phenyl]methanesulfonamide
CID 43745219
N-[1-(3-chlorophenyl)ethyl]-3,5-difluoroaniline
CID 43094786

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-chlorophenyl)ethylamino]-N-methylbenzenesulfonamide?
The IUPAC name of 3-[1-(3-chlorophenyl)ethylamino]-N-methylbenzenesulfonamide (CID 43688525) is 3-[1-(3-chlorophenyl)ethylamino]-N-methylbenzenesulfonamide.
What is the SMILES notation for 3-[1-(3-chlorophenyl)ethylamino]-N-methylbenzenesulfonamide?
The canonical SMILES for 3-[1-(3-chlorophenyl)ethylamino]-N-methylbenzenesulfonamide is CNS(=O)(=O)c1cccc(NC(C)c2cccc(Cl)c2)c1.
What is the InChIKey of 3-[1-(3-chlorophenyl)ethylamino]-N-methylbenzenesulfonamide?
The InChIKey is PCFBZIUXSWRHNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2S/c1-11(12-5-3-6-13(16)9-12)18-14-7-4-8-15(10-14)21(19,20)17-2/h3-11,17-18H,1-2H3.
What are the key properties of 3-[1-(3-chlorophenyl)ethylamino]-N-methylbenzenesulfonamide?
3-[1-(3-chlorophenyl)ethylamino]-N-methylbenzenesulfonamide has a molecular weight of 324.83 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-chlorophenyl)ethylamino]-N-methylbenzenesulfonamide is sourced from PubChem (CID 43688525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).