(2S)-1-(4-fluorophenyl)sulfonyl-2-(2-methylphenyl)pyrrolidine

C17H18FNO2S — CID 51855972

IUPAC(2S)-1-(4-fluorophenyl)sulfonyl-2-(2-methylphenyl)pyrrolidine
SMILESCc1ccccc1[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C17H18FNO2S/c1-13-5-2-3-6-16(13)17-7-4-12-19(17)22(20,21)15-10-8-14(18)9-11-15/h2-3,5-6,8-11,17H,4,7,12H2,1H3/t17-/m0/s1
InChIKeyPTQGPPPBIWJVHU-KRWDZBQOSA-N
MW319.40 g/mol
LogP3.66
Rot. Bonds3

About (2S)-1-(4-fluorophenyl)sulfonyl-2-(2-methylphenyl)pyrrolidine

(2S)-1-(4-fluorophenyl)sulfonyl-2-(2-methylphenyl)pyrrolidine (PubChem CID 51855972) has the molecular formula C17H18FNO2S and a molecular weight of 319.40 g/mol. Its IUPAC name is (2S)-1-(4-fluorophenyl)sulfonyl-2-(2-methylphenyl)pyrrolidine.

Molecular Properties

Compound Name(2S)-1-(4-fluorophenyl)sulfonyl-2-(2-methylphenyl)pyrrolidine
PubChem CID51855972
Molecular FormulaC17H18FNO2S
Molecular Weight319.40 g/mol
Exact Mass319.10
IUPAC Name(2S)-1-(4-fluorophenyl)sulfonyl-2-(2-methylphenyl)pyrrolidine
SMILESCc1ccccc1[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C17H18FNO2S/c1-13-5-2-3-6-16(13)17-7-4-12-19(17)22(20,21)15-10-8-14(18)9-11-15/h2-3,5-6,8-11,17H,4,7,12H2,1H3/t17-/m0/s1
InChIKeyPTQGPPPBIWJVHU-KRWDZBQOSA-N
XLogP3.66
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-(2,5-difluorophenyl)sulfonyl-2-(2-methylphenyl)pyrrolidine
CID 51855969
(2R)-2-(2-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidine
CID 51856499
(2R)-1-(3,4-dimethoxyphenyl)sulfonyl-2-(2-methylphenyl)pyrrolidine
CID 51856148
(2S)-1-(4-fluorophenyl)sulfonyl-2-(4-methylphenyl)pyrrolidine
CID 25498073
(2R)-1-(benzenesulfonyl)-2-(2-fluorophenyl)pyrrolidine
CID 51856093
(2R)-2-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine
CID 124500770
(2R)-2-(2-chlorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidine
CID 51856371
(2R)-1-(4-tert-butylphenyl)sulfonyl-2-(4-fluorophenyl)pyrrolidine
CID 51856123
2-[1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-1H-pyrrole
CID 47176211
1-(4-fluorophenyl)sulfonyl-2-methylpyrrolidine
CID 60974394
(2S)-1-(4-fluorophenyl)sulfonyl-2-(4-methylphenyl)azepane
CID 95078895
(2S)-2-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpiperidine
CID 124500797

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-fluorophenyl)sulfonyl-2-(2-methylphenyl)pyrrolidine?
The IUPAC name of (2S)-1-(4-fluorophenyl)sulfonyl-2-(2-methylphenyl)pyrrolidine (CID 51855972) is (2S)-1-(4-fluorophenyl)sulfonyl-2-(2-methylphenyl)pyrrolidine.
What is the SMILES notation for (2S)-1-(4-fluorophenyl)sulfonyl-2-(2-methylphenyl)pyrrolidine?
The canonical SMILES for (2S)-1-(4-fluorophenyl)sulfonyl-2-(2-methylphenyl)pyrrolidine is Cc1ccccc1[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of (2S)-1-(4-fluorophenyl)sulfonyl-2-(2-methylphenyl)pyrrolidine?
The InChIKey is PTQGPPPBIWJVHU-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H18FNO2S/c1-13-5-2-3-6-16(13)17-7-4-12-19(17)22(20,21)15-10-8-14(18)9-11-15/h2-3,5-6,8-11,17H,4,7,12H2,1H3/t17-/m0/s1.
What are the key properties of (2S)-1-(4-fluorophenyl)sulfonyl-2-(2-methylphenyl)pyrrolidine?
(2S)-1-(4-fluorophenyl)sulfonyl-2-(2-methylphenyl)pyrrolidine has a molecular weight of 319.40 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4-fluorophenyl)sulfonyl-2-(2-methylphenyl)pyrrolidine is sourced from PubChem (CID 51855972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).