1-(4-ethylphenyl)sulfonylpyrrolidine

C12H17NO2S — CID 3041861

IUPAC1-(4-ethylphenyl)sulfonylpyrrolidine
SMILESCCc1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C12H17NO2S/c1-2-11-5-7-12(8-6-11)16(14,15)13-9-3-4-10-13/h5-8H,2-4,9-10H2,1H3
InChIKeyYEPNMSKUQNVBHN-UHFFFAOYSA-N
MW239.34 g/mol
LogP2.03
Rot. Bonds3

About 1-(4-ethylphenyl)sulfonylpyrrolidine

1-(4-ethylphenyl)sulfonylpyrrolidine (PubChem CID 3041861) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is 1-(4-ethylphenyl)sulfonylpyrrolidine.

Molecular Properties

Compound Name1-(4-ethylphenyl)sulfonylpyrrolidine
PubChem CID3041861
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC Name1-(4-ethylphenyl)sulfonylpyrrolidine
SMILESCCc1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C12H17NO2S/c1-2-11-5-7-12(8-6-11)16(14,15)13-9-3-4-10-13/h5-8H,2-4,9-10H2,1H3
InChIKeyYEPNMSKUQNVBHN-UHFFFAOYSA-N
XLogP2.03
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(4-ethylphenyl)sulfonylpyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Benzenesulfonamide, N,N,4-trimethyl-
CID 11743
Piperidine, 1-(p-tolylsulfonyl)-
CID 78431
N-Butyl-p-toluenesulfonamide
CID 61285
p-Toluenesulfonamide, N,N-diethyl-
CID 69539
1-Methyl-4-(para-tolylsulfonyl)-piperazine
CID 269717
(2-Cyclohex-1-enylethyl)[(4-methylphenyl)sulfonyl]amine
CID 737669
Benzenesulfonamide, N-(3-(dimethylamino)propyl)-4-methyl-
CID 202375
6-[(4-Methylphenyl)sulfonyl]-6-azabicyclo[3.2.1]octane
CID 613677
3-Methyl-1-[(4-methylphenyl)sulfonyl]piperidine
CID 2842402
4-methyl-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 3674522
1-(p-Tosyl)-3,4,4-trimethylimidazolidine
CID 126588
3,3'-(P-Tosylimino)dipropionitrile
CID 229494

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)sulfonylpyrrolidine?
The IUPAC name of 1-(4-ethylphenyl)sulfonylpyrrolidine (CID 3041861) is 1-(4-ethylphenyl)sulfonylpyrrolidine.
What is the SMILES notation for 1-(4-ethylphenyl)sulfonylpyrrolidine?
The canonical SMILES for 1-(4-ethylphenyl)sulfonylpyrrolidine is CCc1ccc(S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of 1-(4-ethylphenyl)sulfonylpyrrolidine?
The InChIKey is YEPNMSKUQNVBHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c1-2-11-5-7-12(8-6-11)16(14,15)13-9-3-4-10-13/h5-8H,2-4,9-10H2,1H3.
What are the key properties of 1-(4-ethylphenyl)sulfonylpyrrolidine?
1-(4-ethylphenyl)sulfonylpyrrolidine has a molecular weight of 239.34 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)sulfonylpyrrolidine is sourced from PubChem (CID 3041861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).