4-[(4-chlorophenyl)methylamino]-N-ethylbenzenesulfonamide

C15H17ClN2O2S — CID 43453946

IUPAC4-[(4-chlorophenyl)methylamino]-N-ethylbenzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(NCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H17ClN2O2S/c1-2-18-21(19,20)15-9-7-14(8-10-15)17-11-12-3-5-13(16)6-4-12/h3-10,17-18H,2,11H2,1H3
InChIKeyOBCSRSKZMFLKEA-UHFFFAOYSA-N
MW324.83 g/mol
LogP3.25
Rot. Bonds6

About 4-[(4-chlorophenyl)methylamino]-N-ethylbenzenesulfonamide

4-[(4-chlorophenyl)methylamino]-N-ethylbenzenesulfonamide (PubChem CID 43453946) has the molecular formula C15H17ClN2O2S and a molecular weight of 324.83 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)methylamino]-N-ethylbenzenesulfonamide.

Molecular Properties

Compound Name4-[(4-chlorophenyl)methylamino]-N-ethylbenzenesulfonamide
PubChem CID43453946
Molecular FormulaC15H17ClN2O2S
Molecular Weight324.83 g/mol
Exact Mass324.07
IUPAC Name4-[(4-chlorophenyl)methylamino]-N-ethylbenzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(NCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H17ClN2O2S/c1-2-18-21(19,20)15-9-7-14(8-10-15)17-11-12-3-5-13(16)6-4-12/h3-10,17-18H,2,11H2,1H3
InChIKeyOBCSRSKZMFLKEA-UHFFFAOYSA-N
XLogP3.25
TPSA58.20 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 ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[(4-chlorophenyl)methylamino]-N-ethylbenzenesulfonamide 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

4-[(4-chlorophenyl)sulfonylamino]-N-ethylbenzenesulfonamide
CID 22203365
N-[4-[(4-chlorophenyl)methylamino]phenyl]benzenesulfonamide
CID 112982611
N-ethyl-4-(methylaminomethyl)benzenesulfonamide
CID 60821797
N-ethyl-4-(propylamino)benzenesulfonamide
CID 43453948
1-[4-[(4-chlorophenyl)methylamino]phenyl]-N-methylmethanesulfonamide
CID 110170601
4-chloro-N-(4-propylphenyl)benzenesulfonamide
CID 167013208
4-[[(4-chlorophenyl)sulfonylamino]methyl]-N,N-diethylbenzenesulfonamide
CID 8815309
N-[[4-(aminomethyl)phenyl]methyl]-4-chlorobenzenesulfonamide
CID 81089757
N-[(4-chlorophenyl)methyl]-4-iodobenzenesulfonamide
CID 5000374
1-chloro-4-[[4-(dimethylsulfamoylamino)anilino]methyl]benzene
CID 112982610
N-[5-[(4-chlorophenyl)methylamino]-2-pyridinyl]-4-methylbenzenesulfonamide
CID 113027303
4-(2-aminoethyl)-N-ethylbenzenesulfonamide
CID 16643231

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)methylamino]-N-ethylbenzenesulfonamide?
The IUPAC name of 4-[(4-chlorophenyl)methylamino]-N-ethylbenzenesulfonamide (CID 43453946) is 4-[(4-chlorophenyl)methylamino]-N-ethylbenzenesulfonamide.
What is the SMILES notation for 4-[(4-chlorophenyl)methylamino]-N-ethylbenzenesulfonamide?
The canonical SMILES for 4-[(4-chlorophenyl)methylamino]-N-ethylbenzenesulfonamide is CCNS(=O)(=O)c1ccc(NCc2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-[(4-chlorophenyl)methylamino]-N-ethylbenzenesulfonamide?
The InChIKey is OBCSRSKZMFLKEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2S/c1-2-18-21(19,20)15-9-7-14(8-10-15)17-11-12-3-5-13(16)6-4-12/h3-10,17-18H,2,11H2,1H3.
What are the key properties of 4-[(4-chlorophenyl)methylamino]-N-ethylbenzenesulfonamide?
4-[(4-chlorophenyl)methylamino]-N-ethylbenzenesulfonamide has a molecular weight of 324.83 g/mol, XLogP of 3.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)methylamino]-N-ethylbenzenesulfonamide is sourced from PubChem (CID 43453946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).