4-(4-chlorophenyl)sulfinyl-N-methylaniline

C13H12ClNOS — CID 53343997

IUPAC4-(4-chlorophenyl)sulfinyl-N-methylaniline
SMILESCNc1ccc(S(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C13H12ClNOS/c1-15-11-4-8-13(9-5-11)17(16)12-6-2-10(14)3-7-12/h2-9,15H,1H3
InChIKeyOGWHIWYKUAOOEN-UHFFFAOYSA-N
MW265.77 g/mol
LogP3.55
Rot. Bonds3

About 4-(4-chlorophenyl)sulfinyl-N-methylaniline

4-(4-chlorophenyl)sulfinyl-N-methylaniline (PubChem CID 53343997) has the molecular formula C13H12ClNOS and a molecular weight of 265.77 g/mol. Its IUPAC name is 4-(4-chlorophenyl)sulfinyl-N-methylaniline.

Molecular Properties

Compound Name4-(4-chlorophenyl)sulfinyl-N-methylaniline
PubChem CID53343997
Molecular FormulaC13H12ClNOS
Molecular Weight265.77 g/mol
Exact Mass265.03
IUPAC Name4-(4-chlorophenyl)sulfinyl-N-methylaniline
SMILESCNc1ccc(S(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C13H12ClNOS/c1-15-11-4-8-13(9-5-11)17(16)12-6-2-10(14)3-7-12/h2-9,15H,1H3
InChIKeyOGWHIWYKUAOOEN-UHFFFAOYSA-N
XLogP3.55
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.77
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(4-chlorophenyl)sulfinyl-N-methylaniline 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 4-(4-chlorophenyl)sulfinyl-N-methylaniline?
The IUPAC name of 4-(4-chlorophenyl)sulfinyl-N-methylaniline (CID 53343997) is 4-(4-chlorophenyl)sulfinyl-N-methylaniline.
What is the SMILES notation for 4-(4-chlorophenyl)sulfinyl-N-methylaniline?
The canonical SMILES for 4-(4-chlorophenyl)sulfinyl-N-methylaniline is CNc1ccc(S(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-(4-chlorophenyl)sulfinyl-N-methylaniline?
The InChIKey is OGWHIWYKUAOOEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNOS/c1-15-11-4-8-13(9-5-11)17(16)12-6-2-10(14)3-7-12/h2-9,15H,1H3.
What are the key properties of 4-(4-chlorophenyl)sulfinyl-N-methylaniline?
4-(4-chlorophenyl)sulfinyl-N-methylaniline has a molecular weight of 265.77 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)sulfinyl-N-methylaniline is sourced from PubChem (CID 53343997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).