(4-methylphenyl)-[1-(4-methylphenyl)sulfonylpyrrol-2-yl]methanone

C19H17NO3S — CID 177375479

IUPAC(4-methylphenyl)-[1-(4-methylphenyl)sulfonylpyrrol-2-yl]methanone
SMILESCc1ccc(C(=O)c2cccn2S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C19H17NO3S/c1-14-5-9-16(10-6-14)19(21)18-4-3-13-20(18)24(22,23)17-11-7-15(2)8-12-17/h3-13H,1-2H3
InChIKeyMKXQLQOVAIKOTP-UHFFFAOYSA-N
MW339.42 g/mol
LogP3.57
Rot. Bonds4

About (4-methylphenyl)-[1-(4-methylphenyl)sulfonylpyrrol-2-yl]methanone

(4-methylphenyl)-[1-(4-methylphenyl)sulfonylpyrrol-2-yl]methanone (PubChem CID 177375479) has the molecular formula C19H17NO3S and a molecular weight of 339.42 g/mol. Its IUPAC name is (4-methylphenyl)-[1-(4-methylphenyl)sulfonylpyrrol-2-yl]methanone.

Molecular Properties

Compound Name(4-methylphenyl)-[1-(4-methylphenyl)sulfonylpyrrol-2-yl]methanone
PubChem CID177375479
Molecular FormulaC19H17NO3S
Molecular Weight339.42 g/mol
Exact Mass339.09
IUPAC Name(4-methylphenyl)-[1-(4-methylphenyl)sulfonylpyrrol-2-yl]methanone
SMILESCc1ccc(C(=O)c2cccn2S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C19H17NO3S/c1-14-5-9-16(10-6-14)19(21)18-4-3-13-20(18)24(22,23)17-11-7-15(2)8-12-17/h3-13H,1-2H3
InChIKeyMKXQLQOVAIKOTP-UHFFFAOYSA-N
XLogP3.57
TPSA56.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4-methylphenyl)-[1-(4-methylphenyl)sulfonylpyrrol-2-yl]methanone 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-methylphenyl)-[1-(4-methylphenyl)sulfonylpyrrol-2-yl]methanone?
The IUPAC name of (4-methylphenyl)-[1-(4-methylphenyl)sulfonylpyrrol-2-yl]methanone (CID 177375479) is (4-methylphenyl)-[1-(4-methylphenyl)sulfonylpyrrol-2-yl]methanone.
What is the SMILES notation for (4-methylphenyl)-[1-(4-methylphenyl)sulfonylpyrrol-2-yl]methanone?
The canonical SMILES for (4-methylphenyl)-[1-(4-methylphenyl)sulfonylpyrrol-2-yl]methanone is Cc1ccc(C(=O)c2cccn2S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of (4-methylphenyl)-[1-(4-methylphenyl)sulfonylpyrrol-2-yl]methanone?
The InChIKey is MKXQLQOVAIKOTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3S/c1-14-5-9-16(10-6-14)19(21)18-4-3-13-20(18)24(22,23)17-11-7-15(2)8-12-17/h3-13H,1-2H3.
What are the key properties of (4-methylphenyl)-[1-(4-methylphenyl)sulfonylpyrrol-2-yl]methanone?
(4-methylphenyl)-[1-(4-methylphenyl)sulfonylpyrrol-2-yl]methanone has a molecular weight of 339.42 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)-[1-(4-methylphenyl)sulfonylpyrrol-2-yl]methanone is sourced from PubChem (CID 177375479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).