[4-[1-(3-chlorophenyl)ethylamino]phenyl]methanesulfonamide

C15H17ClN2O2S — CID 43745219

IUPAC[4-[1-(3-chlorophenyl)ethylamino]phenyl]methanesulfonamide
SMILESCC(Nc1ccc(CS(N)(=O)=O)cc1)c1cccc(Cl)c1
InChIInChI=1S/C15H17ClN2O2S/c1-11(13-3-2-4-14(16)9-13)18-15-7-5-12(6-8-15)10-21(17,19)20/h2-9,11,18H,10H2,1H3,(H2,17,19,20)
InChIKeyNJXKQSZQVMLNGA-UHFFFAOYSA-N
MW324.83 g/mol
LogP3.30
Rot. Bonds5

About [4-[1-(3-chlorophenyl)ethylamino]phenyl]methanesulfonamide

[4-[1-(3-chlorophenyl)ethylamino]phenyl]methanesulfonamide (PubChem CID 43745219) has the molecular formula C15H17ClN2O2S and a molecular weight of 324.83 g/mol. Its IUPAC name is [4-[1-(3-chlorophenyl)ethylamino]phenyl]methanesulfonamide.

Molecular Properties

Compound Name[4-[1-(3-chlorophenyl)ethylamino]phenyl]methanesulfonamide
PubChem CID43745219
Molecular FormulaC15H17ClN2O2S
Molecular Weight324.83 g/mol
Exact Mass324.07
IUPAC Name[4-[1-(3-chlorophenyl)ethylamino]phenyl]methanesulfonamide
SMILESCC(Nc1ccc(CS(N)(=O)=O)cc1)c1cccc(Cl)c1
InChIInChI=1S/C15H17ClN2O2S/c1-11(13-3-2-4-14(16)9-13)18-15-7-5-12(6-8-15)10-21(17,19)20/h2-9,11,18H,10H2,1H3,(H2,17,19,20)
InChIKeyNJXKQSZQVMLNGA-UHFFFAOYSA-N
XLogP3.30
TPSA72.19 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 ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [4-[1-(3-chlorophenyl)ethylamino]phenyl]methanesulfonamide 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-[1-(3-chlorophenyl)ethyl]-4-propan-2-ylaniline
CID 43101592
2-amino-4-[1-(3-chlorophenyl)ethylamino]benzenesulfonamide
CID 79466950
[4-[1-(4-hydroxyphenyl)ethylamino]phenyl]methanesulfonamide
CID 43745245
3,5-dichloro-N-[1-(3-chlorophenyl)ethyl]aniline
CID 43106074
4-[[1-(3-chlorophenyl)ethylamino]methyl]benzenesulfonamide
CID 43093327
[3-[1-(3-chlorophenyl)ethylamino]phenyl]methanol
CID 43715072
3-[1-(3-chlorophenyl)ethylamino]-N-methylbenzenesulfonamide
CID 43688525
3-bromo-N-[1-(3-chlorophenyl)ethyl]aniline
CID 43100997
4-bromo-N-[1-(3-chlorophenyl)ethyl]-3-methylaniline
CID 43105622
N-[1-(3-chlorophenyl)ethyl]-3,5-difluoroaniline
CID 43094786
N-[1-(3-chlorophenyl)ethyl]-3-fluoroaniline
CID 43104012
2,6-dichloro-1-N-[1-(3-chlorophenyl)ethyl]benzene-1,4-diamine
CID 106890129

Frequently Asked Questions

What is the IUPAC name of [4-[1-(3-chlorophenyl)ethylamino]phenyl]methanesulfonamide?
The IUPAC name of [4-[1-(3-chlorophenyl)ethylamino]phenyl]methanesulfonamide (CID 43745219) is [4-[1-(3-chlorophenyl)ethylamino]phenyl]methanesulfonamide.
What is the SMILES notation for [4-[1-(3-chlorophenyl)ethylamino]phenyl]methanesulfonamide?
The canonical SMILES for [4-[1-(3-chlorophenyl)ethylamino]phenyl]methanesulfonamide is CC(Nc1ccc(CS(N)(=O)=O)cc1)c1cccc(Cl)c1.
What is the InChIKey of [4-[1-(3-chlorophenyl)ethylamino]phenyl]methanesulfonamide?
The InChIKey is NJXKQSZQVMLNGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2S/c1-11(13-3-2-4-14(16)9-13)18-15-7-5-12(6-8-15)10-21(17,19)20/h2-9,11,18H,10H2,1H3,(H2,17,19,20).
What are the key properties of [4-[1-(3-chlorophenyl)ethylamino]phenyl]methanesulfonamide?
[4-[1-(3-chlorophenyl)ethylamino]phenyl]methanesulfonamide has a molecular weight of 324.83 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(3-chlorophenyl)ethylamino]phenyl]methanesulfonamide is sourced from PubChem (CID 43745219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).