4-[(3-methylsulfonylanilino)methyl]benzamide

C15H16N2O3S — CID 60713201

IUPAC4-[(3-methylsulfonylanilino)methyl]benzamide
SMILESCS(=O)(=O)c1cccc(NCc2ccc(C(N)=O)cc2)c1
InChIInChI=1S/C15H16N2O3S/c1-21(19,20)14-4-2-3-13(9-14)17-10-11-5-7-12(8-6-11)15(16)18/h2-9,17H,10H2,1H3,(H2,16,18)
InChIKeyRNLULILORIEEJA-UHFFFAOYSA-N
MW304.37 g/mol
LogP1.80
Rot. Bonds5

About 4-[(3-methylsulfonylanilino)methyl]benzamide

4-[(3-methylsulfonylanilino)methyl]benzamide (PubChem CID 60713201) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is 4-[(3-methylsulfonylanilino)methyl]benzamide.

Molecular Properties

Compound Name4-[(3-methylsulfonylanilino)methyl]benzamide
PubChem CID60713201
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC Name4-[(3-methylsulfonylanilino)methyl]benzamide
SMILESCS(=O)(=O)c1cccc(NCc2ccc(C(N)=O)cc2)c1
InChIInChI=1S/C15H16N2O3S/c1-21(19,20)14-4-2-3-13(9-14)17-10-11-5-7-12(8-6-11)15(16)18/h2-9,17H,10H2,1H3,(H2,16,18)
InChIKeyRNLULILORIEEJA-UHFFFAOYSA-N
XLogP1.80
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[(3-methylsulfonylanilino)methyl]benzamide 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-[(3-sulfamoylanilino)methyl]benzamide
CID 43761254
N-[(4-ethylphenyl)methyl]-3-methylsulfonylaniline
CID 60924116
N-[(4-bromophenyl)methyl]-3-methylsulfonylaniline
CID 60699362
3-[(4-methylsulfonylphenyl)methylamino]benzenesulfonamide
CID 167770306
4-[(3-methylanilino)methyl]benzamide
CID 28564307
4-[(3-methylsulfonylphenyl)sulfamoyl]benzamide
CID 18286126
3-methylsulfonyl-N-(pyrimidin-5-ylmethyl)aniline
CID 62758794
3-methylsulfonyl-N-(thiophen-3-ylmethyl)aniline
CID 54861617
4-[(3-ethynylanilino)methyl]benzamide
CID 28564163
methyl 5-[(3-methylsulfonylanilino)methyl]furan-2-carboxylate
CID 60699403
N-[(3-methoxyphenyl)methyl]-3-methylsulfonylaniline
CID 60699405
N-[(5-bromothiophen-3-yl)methyl]-3-methylsulfonylaniline
CID 54861542

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methylsulfonylanilino)methyl]benzamide?
The IUPAC name of 4-[(3-methylsulfonylanilino)methyl]benzamide (CID 60713201) is 4-[(3-methylsulfonylanilino)methyl]benzamide.
What is the SMILES notation for 4-[(3-methylsulfonylanilino)methyl]benzamide?
The canonical SMILES for 4-[(3-methylsulfonylanilino)methyl]benzamide is CS(=O)(=O)c1cccc(NCc2ccc(C(N)=O)cc2)c1.
What is the InChIKey of 4-[(3-methylsulfonylanilino)methyl]benzamide?
The InChIKey is RNLULILORIEEJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-21(19,20)14-4-2-3-13(9-14)17-10-11-5-7-12(8-6-11)15(16)18/h2-9,17H,10H2,1H3,(H2,16,18).
What are the key properties of 4-[(3-methylsulfonylanilino)methyl]benzamide?
4-[(3-methylsulfonylanilino)methyl]benzamide has a molecular weight of 304.37 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methylsulfonylanilino)methyl]benzamide is sourced from PubChem (CID 60713201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).