(2R)-2-(4-fluorophenyl)-1-(4-propan-2-ylphenyl)sulfonylpyrrolidine

C19H22FNO2S — CID 51856541

IUPAC(2R)-2-(4-fluorophenyl)-1-(4-propan-2-ylphenyl)sulfonylpyrrolidine
SMILESCC(C)c1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccc(F)cc2)cc1
InChIInChI=1S/C19H22FNO2S/c1-14(2)15-7-11-18(12-8-15)24(22,23)21-13-3-4-19(21)16-5-9-17(20)10-6-16/h5-12,14,19H,3-4,13H2,1-2H3/t19-/m1/s1
InChIKeyBQHUCWHSURNHDW-LJQANCHMSA-N
MW347.46 g/mol
LogP4.47
Rot. Bonds4

About (2R)-2-(4-fluorophenyl)-1-(4-propan-2-ylphenyl)sulfonylpyrrolidine

(2R)-2-(4-fluorophenyl)-1-(4-propan-2-ylphenyl)sulfonylpyrrolidine (PubChem CID 51856541) has the molecular formula C19H22FNO2S and a molecular weight of 347.46 g/mol. Its IUPAC name is (2R)-2-(4-fluorophenyl)-1-(4-propan-2-ylphenyl)sulfonylpyrrolidine.

Molecular Properties

Compound Name(2R)-2-(4-fluorophenyl)-1-(4-propan-2-ylphenyl)sulfonylpyrrolidine
PubChem CID51856541
Molecular FormulaC19H22FNO2S
Molecular Weight347.46 g/mol
Exact Mass347.14
IUPAC Name(2R)-2-(4-fluorophenyl)-1-(4-propan-2-ylphenyl)sulfonylpyrrolidine
SMILESCC(C)c1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccc(F)cc2)cc1
InChIInChI=1S/C19H22FNO2S/c1-14(2)15-7-11-18(12-8-15)24(22,23)21-13-3-4-19(21)16-5-9-17(20)10-6-16/h5-12,14,19H,3-4,13H2,1-2H3/t19-/m1/s1
InChIKeyBQHUCWHSURNHDW-LJQANCHMSA-N
XLogP4.47
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-(4-fluorophenyl)sulfonyl-2-(4-methylphenyl)pyrrolidine
CID 25498073
4-[1-(4-propan-2-ylphenyl)sulfonylpyrrolidin-2-yl]pyridine
CID 110871642
(2R)-1-(4-tert-butylphenyl)sulfonyl-2-(4-fluorophenyl)pyrrolidine
CID 51856123
2-(4-methylphenyl)-1-(4-propan-2-ylphenyl)sulfonylazepane
CID 53096219
(2S)-1-(4-fluorophenyl)sulfonyl-2-(4-methylphenyl)azepane
CID 95078895
N-[4-[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonylphenyl]acetamide
CID 32681927
4-[2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonylbenzamide
CID 42938535
2-propan-2-yl-1-(4-propan-2-ylphenyl)sulfonylpyrrolidine
CID 138998214
3-[(2S)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole
CID 92893927
2-(3-methylphenyl)-1-(4-propan-2-ylphenyl)sulfonylazepane
CID 53096220
1-(4-fluorophenyl)sulfonyl-2-methylpyrrolidine
CID 60974394
(2S)-1-(4-fluorophenyl)sulfonyl-2-(2-methylphenyl)pyrrolidine
CID 51855972

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-fluorophenyl)-1-(4-propan-2-ylphenyl)sulfonylpyrrolidine?
The IUPAC name of (2R)-2-(4-fluorophenyl)-1-(4-propan-2-ylphenyl)sulfonylpyrrolidine (CID 51856541) is (2R)-2-(4-fluorophenyl)-1-(4-propan-2-ylphenyl)sulfonylpyrrolidine.
What is the SMILES notation for (2R)-2-(4-fluorophenyl)-1-(4-propan-2-ylphenyl)sulfonylpyrrolidine?
The canonical SMILES for (2R)-2-(4-fluorophenyl)-1-(4-propan-2-ylphenyl)sulfonylpyrrolidine is CC(C)c1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccc(F)cc2)cc1.
What is the InChIKey of (2R)-2-(4-fluorophenyl)-1-(4-propan-2-ylphenyl)sulfonylpyrrolidine?
The InChIKey is BQHUCWHSURNHDW-LJQANCHMSA-N. The full InChI is InChI=1S/C19H22FNO2S/c1-14(2)15-7-11-18(12-8-15)24(22,23)21-13-3-4-19(21)16-5-9-17(20)10-6-16/h5-12,14,19H,3-4,13H2,1-2H3/t19-/m1/s1.
What are the key properties of (2R)-2-(4-fluorophenyl)-1-(4-propan-2-ylphenyl)sulfonylpyrrolidine?
(2R)-2-(4-fluorophenyl)-1-(4-propan-2-ylphenyl)sulfonylpyrrolidine has a molecular weight of 347.46 g/mol, XLogP of 4.47, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-fluorophenyl)-1-(4-propan-2-ylphenyl)sulfonylpyrrolidine is sourced from PubChem (CID 51856541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).