3-(2-chlorophenyl)-4-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydropyrrole

C18H18ClNO2S — CID 54671581

IUPAC3-(2-chlorophenyl)-4-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydropyrrole
SMILESCC1=CN(S(=O)(=O)c2ccc(C)cc2)CC1c1ccccc1Cl
InChIInChI=1S/C18H18ClNO2S/c1-13-7-9-15(10-8-13)23(21,22)20-11-14(2)17(12-20)16-5-3-4-6-18(16)19/h3-11,17H,12H2,1-2H3
InChIKeyYOADVVYZVXDKCG-UHFFFAOYSA-N
MW347.87 g/mol
LogP4.34
Rot. Bonds3

About 3-(2-chlorophenyl)-4-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydropyrrole

3-(2-chlorophenyl)-4-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydropyrrole (PubChem CID 54671581) has the molecular formula C18H18ClNO2S and a molecular weight of 347.87 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-4-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydropyrrole.

Molecular Properties

Compound Name3-(2-chlorophenyl)-4-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydropyrrole
PubChem CID54671581
Molecular FormulaC18H18ClNO2S
Molecular Weight347.87 g/mol
Exact Mass347.07
IUPAC Name3-(2-chlorophenyl)-4-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydropyrrole
SMILESCC1=CN(S(=O)(=O)c2ccc(C)cc2)CC1c1ccccc1Cl
InChIInChI=1S/C18H18ClNO2S/c1-13-7-9-15(10-8-13)23(21,22)20-11-14(2)17(12-20)16-5-3-4-6-18(16)19/h3-11,17H,12H2,1-2H3
InChIKeyYOADVVYZVXDKCG-UHFFFAOYSA-N
XLogP4.34
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.87
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-(2-chlorophenyl)-4-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydropyrrole 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-methyl-1-(4-methylphenyl)sulfonyl-3-phenyl-2,3-dihydropyrrole
CID 54671505
(2S)-2-(2-chlorophenyl)-1-(4-methylphenyl)sulfonylaziridine
CID 71663240
(2R)-2-(2-chlorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidine
CID 51856371
3-(2-chlorophenyl)-4-(4-methylphenyl)sulfonylpiperazin-2-one
CID 110657427
2-(2-chlorophenyl)-1-(4-methylphenyl)sulfonylazepane
CID 53096111
1-(benzenesulfonyl)-3-(4-tert-butylphenyl)-4-methyl-2,3-dihydropyrrole
CID 54671663
2-(2-chlorophenyl)-4-methylidene-1-(4-methylphenyl)sulfonylpyrrolidine
CID 86167152
3-methoxy-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole
CID 71662647
ethyl (2S,3R)-3-(2-chlorophenyl)-1-(4-methylphenyl)sulfonylaziridine-2-carboxylate
CID 11440377
(2S)-2-(2-chlorophenyl)-1-(4-nitrophenyl)sulfonylaziridine
CID 71416019
5,5-dimethyl-3-(4-methylphenyl)sulfonyl-1-phenyl-1,2-dihydro-3-benzazepin-4-one
CID 155907249
3,6,9-tris-(4-methylphenyl)sulfonyl-3,6,9-triazatetracyclo[6.1.0.02,4.05,7]nonane
CID 12599628

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-4-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydropyrrole?
The IUPAC name of 3-(2-chlorophenyl)-4-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydropyrrole (CID 54671581) is 3-(2-chlorophenyl)-4-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydropyrrole.
What is the SMILES notation for 3-(2-chlorophenyl)-4-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydropyrrole?
The canonical SMILES for 3-(2-chlorophenyl)-4-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydropyrrole is CC1=CN(S(=O)(=O)c2ccc(C)cc2)CC1c1ccccc1Cl.
What is the InChIKey of 3-(2-chlorophenyl)-4-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydropyrrole?
The InChIKey is YOADVVYZVXDKCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO2S/c1-13-7-9-15(10-8-13)23(21,22)20-11-14(2)17(12-20)16-5-3-4-6-18(16)19/h3-11,17H,12H2,1-2H3.
What are the key properties of 3-(2-chlorophenyl)-4-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydropyrrole?
3-(2-chlorophenyl)-4-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydropyrrole has a molecular weight of 347.87 g/mol, XLogP of 4.34, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-4-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydropyrrole is sourced from PubChem (CID 54671581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).