3-[(4-chlorophenyl)methylsulfinyl]-N-(4-methylsulfinylphenyl)benzamide

C21H18ClNO3S2 — CID 90342904

IUPAC3-[(4-chlorophenyl)methylsulfinyl]-N-(4-methylsulfinylphenyl)benzamide
SMILESCS(=O)c1ccc(NC(=O)c2cccc(S(=O)Cc3ccc(Cl)cc3)c2)cc1
InChIInChI=1S/C21H18ClNO3S2/c1-27(25)19-11-9-18(10-12-19)23-21(24)16-3-2-4-20(13-16)28(26)14-15-5-7-17(22)8-6-15/h2-13H,14H2,1H3,(H,23,24)
InChIKeyKHVZUGOGEHTJJT-UHFFFAOYSA-N
MW431.97 g/mol
LogP4.64
Rot. Bonds6

About 3-[(4-chlorophenyl)methylsulfinyl]-N-(4-methylsulfinylphenyl)benzamide

3-[(4-chlorophenyl)methylsulfinyl]-N-(4-methylsulfinylphenyl)benzamide (PubChem CID 90342904) has the molecular formula C21H18ClNO3S2 and a molecular weight of 431.97 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methylsulfinyl]-N-(4-methylsulfinylphenyl)benzamide.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methylsulfinyl]-N-(4-methylsulfinylphenyl)benzamide
PubChem CID90342904
Molecular FormulaC21H18ClNO3S2
Molecular Weight431.97 g/mol
Exact Mass431.04
IUPAC Name3-[(4-chlorophenyl)methylsulfinyl]-N-(4-methylsulfinylphenyl)benzamide
SMILESCS(=O)c1ccc(NC(=O)c2cccc(S(=O)Cc3ccc(Cl)cc3)c2)cc1
InChIInChI=1S/C21H18ClNO3S2/c1-27(25)19-11-9-18(10-12-19)23-21(24)16-3-2-4-20(13-16)28(26)14-15-5-7-17(22)8-6-15/h2-13H,14H2,1H3,(H,23,24)
InChIKeyKHVZUGOGEHTJJT-UHFFFAOYSA-N
XLogP4.64
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.97
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[(4-chlorophenyl)methylsulfinyl]-N-(4-methylsulfinylphenyl)benzamide 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 3-[(4-chlorophenyl)methylsulfinyl]-N-(4-methylsulfinylphenyl)benzamide?
The IUPAC name of 3-[(4-chlorophenyl)methylsulfinyl]-N-(4-methylsulfinylphenyl)benzamide (CID 90342904) is 3-[(4-chlorophenyl)methylsulfinyl]-N-(4-methylsulfinylphenyl)benzamide.
What is the SMILES notation for 3-[(4-chlorophenyl)methylsulfinyl]-N-(4-methylsulfinylphenyl)benzamide?
The canonical SMILES for 3-[(4-chlorophenyl)methylsulfinyl]-N-(4-methylsulfinylphenyl)benzamide is CS(=O)c1ccc(NC(=O)c2cccc(S(=O)Cc3ccc(Cl)cc3)c2)cc1.
What is the InChIKey of 3-[(4-chlorophenyl)methylsulfinyl]-N-(4-methylsulfinylphenyl)benzamide?
The InChIKey is KHVZUGOGEHTJJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClNO3S2/c1-27(25)19-11-9-18(10-12-19)23-21(24)16-3-2-4-20(13-16)28(26)14-15-5-7-17(22)8-6-15/h2-13H,14H2,1H3,(H,23,24).
What are the key properties of 3-[(4-chlorophenyl)methylsulfinyl]-N-(4-methylsulfinylphenyl)benzamide?
3-[(4-chlorophenyl)methylsulfinyl]-N-(4-methylsulfinylphenyl)benzamide has a molecular weight of 431.97 g/mol, XLogP of 4.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)methylsulfinyl]-N-(4-methylsulfinylphenyl)benzamide is sourced from PubChem (CID 90342904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).