(2R)-2-(4-chlorophenyl)-1-(4-ethylphenyl)sulfonylpyrrolidine

C18H20ClNO2S — CID 51856609

IUPAC(2R)-2-(4-chlorophenyl)-1-(4-ethylphenyl)sulfonylpyrrolidine
SMILESCCc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H20ClNO2S/c1-2-14-5-11-17(12-6-14)23(21,22)20-13-3-4-18(20)15-7-9-16(19)10-8-15/h5-12,18H,2-4,13H2,1H3/t18-/m1/s1
InChIKeyNXDUCVLRJMAJCY-GOSISDBHSA-N
MW349.88 g/mol
LogP4.43
Rot. Bonds4

About (2R)-2-(4-chlorophenyl)-1-(4-ethylphenyl)sulfonylpyrrolidine

(2R)-2-(4-chlorophenyl)-1-(4-ethylphenyl)sulfonylpyrrolidine (PubChem CID 51856609) has the molecular formula C18H20ClNO2S and a molecular weight of 349.88 g/mol. Its IUPAC name is (2R)-2-(4-chlorophenyl)-1-(4-ethylphenyl)sulfonylpyrrolidine.

Molecular Properties

Compound Name(2R)-2-(4-chlorophenyl)-1-(4-ethylphenyl)sulfonylpyrrolidine
PubChem CID51856609
Molecular FormulaC18H20ClNO2S
Molecular Weight349.88 g/mol
Exact Mass349.09
IUPAC Name(2R)-2-(4-chlorophenyl)-1-(4-ethylphenyl)sulfonylpyrrolidine
SMILESCCc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H20ClNO2S/c1-2-14-5-11-17(12-6-14)23(21,22)20-13-3-4-18(20)15-7-9-16(19)10-8-15/h5-12,18H,2-4,13H2,1H3/t18-/m1/s1
InChIKeyNXDUCVLRJMAJCY-GOSISDBHSA-N
XLogP4.43
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.88
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)sulfonyl-2-(4-ethoxyphenyl)pyrrolidine
CID 24511415
3-[1-(4-ethylphenyl)sulfonylpyrrolidin-2-yl]pyridine
CID 24525751
(2S)-2-(4-chlorophenyl)-1-methylsulfonylpyrrolidine
CID 51694759
(2R)-2-(4-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidine
CID 35391559
N-(4-chlorophenyl)-5-[1-(4-ethylphenyl)sulfonylpyrrolidin-2-yl]-1,3,4-thiadiazole-2-carboxamide
CID 53072689
N,N-diethyl-4-[2-(4-methylphenyl)pyrrolidin-1-yl]sulfonylbenzenesulfonamide
CID 24678968
(2R)-2-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)sulfonylazepane
CID 95079108
(2R)-2-(4-methoxyphenyl)-1-[4-(2-methylpropyl)phenyl]sulfonylpyrrolidine
CID 94080813
(2S)-1-(4-fluorophenyl)sulfonyl-2-(4-methylphenyl)pyrrolidine
CID 25498073
(2R)-2-(4-fluorophenyl)-1-(4-propan-2-ylphenyl)sulfonylpyrrolidine
CID 51856541
(2S)-1-(4-chlorophenyl)sulfonyl-2-(3-methylphenyl)azepane
CID 95078859
(2R)-1-(4-tert-butylphenyl)sulfonyl-2-(4-fluorophenyl)pyrrolidine
CID 51856123

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chlorophenyl)-1-(4-ethylphenyl)sulfonylpyrrolidine?
The IUPAC name of (2R)-2-(4-chlorophenyl)-1-(4-ethylphenyl)sulfonylpyrrolidine (CID 51856609) is (2R)-2-(4-chlorophenyl)-1-(4-ethylphenyl)sulfonylpyrrolidine.
What is the SMILES notation for (2R)-2-(4-chlorophenyl)-1-(4-ethylphenyl)sulfonylpyrrolidine?
The canonical SMILES for (2R)-2-(4-chlorophenyl)-1-(4-ethylphenyl)sulfonylpyrrolidine is CCc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccc(Cl)cc2)cc1.
What is the InChIKey of (2R)-2-(4-chlorophenyl)-1-(4-ethylphenyl)sulfonylpyrrolidine?
The InChIKey is NXDUCVLRJMAJCY-GOSISDBHSA-N. The full InChI is InChI=1S/C18H20ClNO2S/c1-2-14-5-11-17(12-6-14)23(21,22)20-13-3-4-18(20)15-7-9-16(19)10-8-15/h5-12,18H,2-4,13H2,1H3/t18-/m1/s1.
What are the key properties of (2R)-2-(4-chlorophenyl)-1-(4-ethylphenyl)sulfonylpyrrolidine?
(2R)-2-(4-chlorophenyl)-1-(4-ethylphenyl)sulfonylpyrrolidine has a molecular weight of 349.88 g/mol, XLogP of 4.43, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-chlorophenyl)-1-(4-ethylphenyl)sulfonylpyrrolidine is sourced from PubChem (CID 51856609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).