1-(benzenesulfonyl)-2,2-diethyl-4-phenylpyrrolidine

C20H25NO2S — CID 156698182

IUPAC1-(benzenesulfonyl)-2,2-diethyl-4-phenylpyrrolidine
SMILESCCC1(CC)CC(c2ccccc2)CN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C20H25NO2S/c1-3-20(4-2)15-18(17-11-7-5-8-12-17)16-21(20)24(22,23)19-13-9-6-10-14-19/h5-14,18H,3-4,15-16H2,1-2H3
InChIKeyMEWKDVYVCGPASE-UHFFFAOYSA-N
MW343.49 g/mol
LogP4.42
Rot. Bonds5

About 1-(benzenesulfonyl)-2,2-diethyl-4-phenylpyrrolidine

1-(benzenesulfonyl)-2,2-diethyl-4-phenylpyrrolidine (PubChem CID 156698182) has the molecular formula C20H25NO2S and a molecular weight of 343.49 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-2,2-diethyl-4-phenylpyrrolidine.

Molecular Properties

Compound Name1-(benzenesulfonyl)-2,2-diethyl-4-phenylpyrrolidine
PubChem CID156698182
Molecular FormulaC20H25NO2S
Molecular Weight343.49 g/mol
Exact Mass343.16
IUPAC Name1-(benzenesulfonyl)-2,2-diethyl-4-phenylpyrrolidine
SMILESCCC1(CC)CC(c2ccccc2)CN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C20H25NO2S/c1-3-20(4-2)15-18(17-11-7-5-8-12-17)16-21(20)24(22,23)19-13-9-6-10-14-19/h5-14,18H,3-4,15-16H2,1-2H3
InChIKeyMEWKDVYVCGPASE-UHFFFAOYSA-N
XLogP4.42
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.49
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-tert-butylphenyl)-2,2-diethyl-1-(4-nitrophenyl)sulfonylpyrrolidine
CID 156698192
2,2-dimethyl-1-(4-nitrophenyl)sulfonyl-4-phenylpyrrolidine
CID 156698197
(2R)-1-(benzenesulfonyl)-2-ethylaziridine
CID 22957230
1-(4-nitrophenyl)sulfonyl-3-phenyl-1-azaspiro[4.4]nonane
CID 122222398
(3R,5R)-3-fluoro-3-methyl-1-(4-methylphenyl)sulfonyl-5-phenylpiperidine
CID 71477070
1-(benzenesulfonyl)-2-phenylaziridine
CID 576325
1-(benzenesulfonyl)-5,5-dimethylpyrrolidin-3-amine
CID 115269150
(2S)-1-(benzenesulfonyl)-2-(chloromethyl)aziridine
CID 7368706
(1S,6R)-7-(benzenesulfonyl)-1,6-dimethyl-7-azabicyclo[4.2.0]oct-3-ene
CID 94036916
1-[(2R)-3-(benzenesulfonyl)-2-phenylimidazolidin-1-yl]propan-1-one
CID 6935280
1-[4-(3-phenylpyrrolidin-1-yl)sulfonylphenyl]ethanone
CID 51055236
(2R,3R)-1-(benzenesulfonyl)-2,3-diethylaziridine
CID 165347301

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-2,2-diethyl-4-phenylpyrrolidine?
The IUPAC name of 1-(benzenesulfonyl)-2,2-diethyl-4-phenylpyrrolidine (CID 156698182) is 1-(benzenesulfonyl)-2,2-diethyl-4-phenylpyrrolidine.
What is the SMILES notation for 1-(benzenesulfonyl)-2,2-diethyl-4-phenylpyrrolidine?
The canonical SMILES for 1-(benzenesulfonyl)-2,2-diethyl-4-phenylpyrrolidine is CCC1(CC)CC(c2ccccc2)CN1S(=O)(=O)c1ccccc1.
What is the InChIKey of 1-(benzenesulfonyl)-2,2-diethyl-4-phenylpyrrolidine?
The InChIKey is MEWKDVYVCGPASE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2S/c1-3-20(4-2)15-18(17-11-7-5-8-12-17)16-21(20)24(22,23)19-13-9-6-10-14-19/h5-14,18H,3-4,15-16H2,1-2H3.
What are the key properties of 1-(benzenesulfonyl)-2,2-diethyl-4-phenylpyrrolidine?
1-(benzenesulfonyl)-2,2-diethyl-4-phenylpyrrolidine has a molecular weight of 343.49 g/mol, XLogP of 4.42, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-2,2-diethyl-4-phenylpyrrolidine is sourced from PubChem (CID 156698182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).