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

C17H18FNO2S — CID 25498073

IUPAC(2S)-1-(4-fluorophenyl)sulfonyl-2-(4-methylphenyl)pyrrolidine
SMILESCc1ccc([C@@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C17H18FNO2S/c1-13-4-6-14(7-5-13)17-3-2-12-19(17)22(20,21)16-10-8-15(18)9-11-16/h4-11,17H,2-3,12H2,1H3/t17-/m0/s1
InChIKeyLIPPWHXJTMKFJM-KRWDZBQOSA-N
MW319.40 g/mol
LogP3.66
Rot. Bonds3

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

(2S)-1-(4-fluorophenyl)sulfonyl-2-(4-methylphenyl)pyrrolidine (PubChem CID 25498073) has the molecular formula C17H18FNO2S and a molecular weight of 319.40 g/mol. Its IUPAC name is (2S)-1-(4-fluorophenyl)sulfonyl-2-(4-methylphenyl)pyrrolidine.

Molecular Properties

Compound Name(2S)-1-(4-fluorophenyl)sulfonyl-2-(4-methylphenyl)pyrrolidine
PubChem CID25498073
Molecular FormulaC17H18FNO2S
Molecular Weight319.40 g/mol
Exact Mass319.10
IUPAC Name(2S)-1-(4-fluorophenyl)sulfonyl-2-(4-methylphenyl)pyrrolidine
SMILESCc1ccc([C@@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C17H18FNO2S/c1-13-4-6-14(7-5-13)17-3-2-12-19(17)22(20,21)16-10-8-15(18)9-11-16/h4-11,17H,2-3,12H2,1H3/t17-/m0/s1
InChIKeyLIPPWHXJTMKFJM-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

(2S)-1-(4-fluorophenyl)sulfonyl-2-(4-methylphenyl)azepane
CID 95078895
(2R)-1-(4-tert-butylphenyl)sulfonyl-2-(4-fluorophenyl)pyrrolidine
CID 51856123
(2R)-2-(4-fluorophenyl)-1-(4-propan-2-ylphenyl)sulfonylpyrrolidine
CID 51856541
2,4-bis(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpiperidine
CID 164682677
(2R)-2-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylaziridine
CID 101342795
N-[4-[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonylphenyl]acetamide
CID 32681927
4-[2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonylbenzamide
CID 42938535
N,N-diethyl-4-[2-(4-methylphenyl)pyrrolidin-1-yl]sulfonylbenzenesulfonamide
CID 24678968
2-methyl-5-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]pyridine
CID 102539084
1-(4-fluorophenyl)sulfonyl-2-(3-methylphenyl)azepane
CID 53096117
2-(4-methylphenyl)-1-(4-propan-2-ylphenyl)sulfonylazepane
CID 53096219
2-(4-methylphenyl)-1-methylsulfonylpyrrolidine
CID 53003266

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-fluorophenyl)sulfonyl-2-(4-methylphenyl)pyrrolidine?
The IUPAC name of (2S)-1-(4-fluorophenyl)sulfonyl-2-(4-methylphenyl)pyrrolidine (CID 25498073) is (2S)-1-(4-fluorophenyl)sulfonyl-2-(4-methylphenyl)pyrrolidine.
What is the SMILES notation for (2S)-1-(4-fluorophenyl)sulfonyl-2-(4-methylphenyl)pyrrolidine?
The canonical SMILES for (2S)-1-(4-fluorophenyl)sulfonyl-2-(4-methylphenyl)pyrrolidine is Cc1ccc([C@@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of (2S)-1-(4-fluorophenyl)sulfonyl-2-(4-methylphenyl)pyrrolidine?
The InChIKey is LIPPWHXJTMKFJM-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H18FNO2S/c1-13-4-6-14(7-5-13)17-3-2-12-19(17)22(20,21)16-10-8-15(18)9-11-16/h4-11,17H,2-3,12H2,1H3/t17-/m0/s1.
What are the key properties of (2S)-1-(4-fluorophenyl)sulfonyl-2-(4-methylphenyl)pyrrolidine?
(2S)-1-(4-fluorophenyl)sulfonyl-2-(4-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-(4-methylphenyl)pyrrolidine is sourced from PubChem (CID 25498073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).