(2S,5S)-2-(4-fluorophenyl)-5-methyl-1-(4-methylphenyl)sulfonylpyrrolidine

C18H20FNO2S — CID 162407869

IUPAC(2S,5S)-2-(4-fluorophenyl)-5-methyl-1-(4-methylphenyl)sulfonylpyrrolidine
SMILESCc1ccc(S(=O)(=O)N2[C@@H](C)CC[C@H]2c2ccc(F)cc2)cc1
InChIInChI=1S/C18H20FNO2S/c1-13-3-10-17(11-4-13)23(21,22)20-14(2)5-12-18(20)15-6-8-16(19)9-7-15/h3-4,6-11,14,18H,5,12H2,1-2H3/t14-,18-/m0/s1
InChIKeyJXFZDHBATZYBLW-KSSFIOAISA-N
MW333.43 g/mol
LogP4.05
Rot. Bonds3

About (2S,5S)-2-(4-fluorophenyl)-5-methyl-1-(4-methylphenyl)sulfonylpyrrolidine

(2S,5S)-2-(4-fluorophenyl)-5-methyl-1-(4-methylphenyl)sulfonylpyrrolidine (PubChem CID 162407869) has the molecular formula C18H20FNO2S and a molecular weight of 333.43 g/mol. Its IUPAC name is (2S,5S)-2-(4-fluorophenyl)-5-methyl-1-(4-methylphenyl)sulfonylpyrrolidine.

Molecular Properties

Compound Name(2S,5S)-2-(4-fluorophenyl)-5-methyl-1-(4-methylphenyl)sulfonylpyrrolidine
PubChem CID162407869
Molecular FormulaC18H20FNO2S
Molecular Weight333.43 g/mol
Exact Mass333.12
IUPAC Name(2S,5S)-2-(4-fluorophenyl)-5-methyl-1-(4-methylphenyl)sulfonylpyrrolidine
SMILESCc1ccc(S(=O)(=O)N2[C@@H](C)CC[C@H]2c2ccc(F)cc2)cc1
InChIInChI=1S/C18H20FNO2S/c1-13-3-10-17(11-4-13)23(21,22)20-14(2)5-12-18(20)15-6-8-16(19)9-7-15/h3-4,6-11,14,18H,5,12H2,1-2H3/t14-,18-/m0/s1
InChIKeyJXFZDHBATZYBLW-KSSFIOAISA-N
XLogP4.05
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2S,5S)-2-(4-fluorophenyl)-5-methyl-1-(4-methylphenyl)sulfonylpyrrolidine 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

(2S,5S)-2-(4-methoxyphenyl)-5-methyl-1-(4-methylphenyl)sulfonylpyrrolidine
CID 162407870
[5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methanol
CID 22250435
3-[5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]propan-1-ol
CID 10292985
5-[5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]-2H-tetrazole
CID 22250448
(2R,5R)-1-(benzenesulfonyl)-2-methyl-5-phenylpyrrolidine
CID 59100228
2-(4-chlorobutyl)-5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidine
CID 22250478
(2R)-2-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylaziridine
CID 101342795
1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidine-2-carbaldehyde
CID 139563720
2-(4-fluorophenyl)-5-(4-methoxybutyl)-1-(4-methylphenyl)sulfonylpyrrolidine
CID 10201316
(2S)-1-(4-fluorophenyl)sulfonyl-2-(4-methylphenyl)pyrrolidine
CID 25498073
3-(4-fluorophenyl)-2-(4-methylphenyl)sulfonyl-1,2-thiazolidine
CID 86224667
(2S,3S)-2-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-3-phenylaziridine
CID 24764030

Frequently Asked Questions

What is the IUPAC name of (2S,5S)-2-(4-fluorophenyl)-5-methyl-1-(4-methylphenyl)sulfonylpyrrolidine?
The IUPAC name of (2S,5S)-2-(4-fluorophenyl)-5-methyl-1-(4-methylphenyl)sulfonylpyrrolidine (CID 162407869) is (2S,5S)-2-(4-fluorophenyl)-5-methyl-1-(4-methylphenyl)sulfonylpyrrolidine.
What is the SMILES notation for (2S,5S)-2-(4-fluorophenyl)-5-methyl-1-(4-methylphenyl)sulfonylpyrrolidine?
The canonical SMILES for (2S,5S)-2-(4-fluorophenyl)-5-methyl-1-(4-methylphenyl)sulfonylpyrrolidine is Cc1ccc(S(=O)(=O)N2[C@@H](C)CC[C@H]2c2ccc(F)cc2)cc1.
What is the InChIKey of (2S,5S)-2-(4-fluorophenyl)-5-methyl-1-(4-methylphenyl)sulfonylpyrrolidine?
The InChIKey is JXFZDHBATZYBLW-KSSFIOAISA-N. The full InChI is InChI=1S/C18H20FNO2S/c1-13-3-10-17(11-4-13)23(21,22)20-14(2)5-12-18(20)15-6-8-16(19)9-7-15/h3-4,6-11,14,18H,5,12H2,1-2H3/t14-,18-/m0/s1.
What are the key properties of (2S,5S)-2-(4-fluorophenyl)-5-methyl-1-(4-methylphenyl)sulfonylpyrrolidine?
(2S,5S)-2-(4-fluorophenyl)-5-methyl-1-(4-methylphenyl)sulfonylpyrrolidine has a molecular weight of 333.43 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-2-(4-fluorophenyl)-5-methyl-1-(4-methylphenyl)sulfonylpyrrolidine is sourced from PubChem (CID 162407869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).