N-[(4-chlorophenyl)methyl]-4-methylsulfanylbenzenesulfonamide

C14H14ClNO2S2 — CID 973513

IUPACN-[(4-chlorophenyl)methyl]-4-methylsulfanylbenzenesulfonamide
SMILESCSc1ccc(S(=O)(=O)NCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C14H14ClNO2S2/c1-19-13-6-8-14(9-7-13)20(17,18)16-10-11-2-4-12(15)5-3-11/h2-9,16H,10H2,1H3
InChIKeyBZVSEQMHZDOGKY-UHFFFAOYSA-N
MW327.86 g/mol
LogP3.54
Rot. Bonds5

About N-[(4-chlorophenyl)methyl]-4-methylsulfanylbenzenesulfonamide

N-[(4-chlorophenyl)methyl]-4-methylsulfanylbenzenesulfonamide (PubChem CID 973513) has the molecular formula C14H14ClNO2S2 and a molecular weight of 327.86 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-4-methylsulfanylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-4-methylsulfanylbenzenesulfonamide
PubChem CID973513
Molecular FormulaC14H14ClNO2S2
Molecular Weight327.86 g/mol
Exact Mass327.02
IUPAC NameN-[(4-chlorophenyl)methyl]-4-methylsulfanylbenzenesulfonamide
SMILESCSc1ccc(S(=O)(=O)NCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C14H14ClNO2S2/c1-19-13-6-8-14(9-7-13)20(17,18)16-10-11-2-4-12(15)5-3-11/h2-9,16H,10H2,1H3
InChIKeyBZVSEQMHZDOGKY-UHFFFAOYSA-N
XLogP3.54
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.86
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(4-chlorophenyl)methyl]-4-methylsulfanylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-4-methylsulfanylbenzenesulfonamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-4-methylsulfanylbenzenesulfonamide (CID 973513) is N-[(4-chlorophenyl)methyl]-4-methylsulfanylbenzenesulfonamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-4-methylsulfanylbenzenesulfonamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-4-methylsulfanylbenzenesulfonamide is CSc1ccc(S(=O)(=O)NCc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-4-methylsulfanylbenzenesulfonamide?
The InChIKey is BZVSEQMHZDOGKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO2S2/c1-19-13-6-8-14(9-7-13)20(17,18)16-10-11-2-4-12(15)5-3-11/h2-9,16H,10H2,1H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-4-methylsulfanylbenzenesulfonamide?
N-[(4-chlorophenyl)methyl]-4-methylsulfanylbenzenesulfonamide has a molecular weight of 327.86 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-4-methylsulfanylbenzenesulfonamide is sourced from PubChem (CID 973513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).