4-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-pyridin-3-ylbenzamide

C20H18ClN3O3S — CID 1357871

IUPAC4-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-pyridin-3-ylbenzamide
SMILESCS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(C(=O)Nc2cccnc2)cc1
InChIInChI=1S/C20H18ClN3O3S/c1-28(26,27)24(14-15-4-8-17(21)9-5-15)19-10-6-16(7-11-19)20(25)23-18-3-2-12-22-13-18/h2-13H,14H2,1H3,(H,23,25)
InChIKeyWOASTPGNSOQWKN-UHFFFAOYSA-N
MW415.90 g/mol
LogP3.95
Rot. Bonds6

About 4-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-pyridin-3-ylbenzamide

4-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-pyridin-3-ylbenzamide (PubChem CID 1357871) has the molecular formula C20H18ClN3O3S and a molecular weight of 415.90 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-pyridin-3-ylbenzamide.

Molecular Properties

Compound Name4-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-pyridin-3-ylbenzamide
PubChem CID1357871
Molecular FormulaC20H18ClN3O3S
Molecular Weight415.90 g/mol
Exact Mass415.08
IUPAC Name4-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-pyridin-3-ylbenzamide
SMILESCS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(C(=O)Nc2cccnc2)cc1
InChIInChI=1S/C20H18ClN3O3S/c1-28(26,27)24(14-15-4-8-17(21)9-5-15)19-10-6-16(7-11-19)20(25)23-18-3-2-12-22-13-18/h2-13H,14H2,1H3,(H,23,25)
InChIKeyWOASTPGNSOQWKN-UHFFFAOYSA-N
XLogP3.95
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.90
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-pyridin-3-ylbenzamide 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)methyl-methylsulfonylamino]-N-pyridin-3-ylbenzamide?
The IUPAC name of 4-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-pyridin-3-ylbenzamide (CID 1357871) is 4-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-pyridin-3-ylbenzamide.
What is the SMILES notation for 4-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-pyridin-3-ylbenzamide?
The canonical SMILES for 4-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-pyridin-3-ylbenzamide is CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(C(=O)Nc2cccnc2)cc1.
What is the InChIKey of 4-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-pyridin-3-ylbenzamide?
The InChIKey is WOASTPGNSOQWKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O3S/c1-28(26,27)24(14-15-4-8-17(21)9-5-15)19-10-6-16(7-11-19)20(25)23-18-3-2-12-22-13-18/h2-13H,14H2,1H3,(H,23,25).
What are the key properties of 4-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-pyridin-3-ylbenzamide?
4-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-pyridin-3-ylbenzamide has a molecular weight of 415.90 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-pyridin-3-ylbenzamide is sourced from PubChem (CID 1357871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).