1-(3-chlorophenyl)sulfonyl-2-ethylpyrrolidine

C12H16ClNO2S — CID 110604704

IUPAC1-(3-chlorophenyl)sulfonyl-2-ethylpyrrolidine
SMILESCCC1CCCN1S(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C12H16ClNO2S/c1-2-11-6-4-8-14(11)17(15,16)12-7-3-5-10(13)9-12/h3,5,7,9,11H,2,4,6,8H2,1H3
InChIKeyKZXSNAPRVRKWFA-UHFFFAOYSA-N
MW273.78 g/mol
LogP2.90
Rot. Bonds3

About 1-(3-chlorophenyl)sulfonyl-2-ethylpyrrolidine

1-(3-chlorophenyl)sulfonyl-2-ethylpyrrolidine (PubChem CID 110604704) has the molecular formula C12H16ClNO2S and a molecular weight of 273.78 g/mol. Its IUPAC name is 1-(3-chlorophenyl)sulfonyl-2-ethylpyrrolidine.

Molecular Properties

Compound Name1-(3-chlorophenyl)sulfonyl-2-ethylpyrrolidine
PubChem CID110604704
Molecular FormulaC12H16ClNO2S
Molecular Weight273.78 g/mol
Exact Mass273.06
IUPAC Name1-(3-chlorophenyl)sulfonyl-2-ethylpyrrolidine
SMILESCCC1CCCN1S(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C12H16ClNO2S/c1-2-11-6-4-8-14(11)17(15,16)12-7-3-5-10(13)9-12/h3,5,7,9,11H,2,4,6,8H2,1H3
InChIKeyKZXSNAPRVRKWFA-UHFFFAOYSA-N
XLogP2.90
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.78
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-1-(3-methylphenyl)sulfonylpyrrolidine
CID 110604689
2-(chloromethyl)-1-(3-chlorophenyl)sulfonylpiperidine
CID 63396610
2-benzyl-1-(3-chlorophenyl)sulfonylpyrrolidine
CID 24627301
3-(2-ethylpiperidin-1-yl)sulfonylbenzenesulfonyl chloride
CID 43266562
2-chloro-4-(2-ethylpyrrolidin-1-yl)sulfonylaniline
CID 113288410
2-[1-(3-chlorophenyl)sulfonylpiperidin-2-yl]acetamide
CID 70264662
1-(3-chlorophenyl)sulfonyl-2-propan-2-ylpyrrolidine
CID 110728313
(2S)-1-(3-chlorophenyl)sulfonyl-2-(phenylmethoxymethyl)pyrrolidine
CID 141047061
1-(3,4-dimethylphenyl)sulfonyl-2-ethylpyrrolidine
CID 110429015
1-(3-chlorophenyl)sulfonyl-2-cyclobutylpyrrolidine
CID 110871963
(2S)-1-(3-chlorophenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 45290955
(2R)-2-ethyl-1-(3-nitrophenyl)sulfonylpiperidine
CID 7324167

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)sulfonyl-2-ethylpyrrolidine?
The IUPAC name of 1-(3-chlorophenyl)sulfonyl-2-ethylpyrrolidine (CID 110604704) is 1-(3-chlorophenyl)sulfonyl-2-ethylpyrrolidine.
What is the SMILES notation for 1-(3-chlorophenyl)sulfonyl-2-ethylpyrrolidine?
The canonical SMILES for 1-(3-chlorophenyl)sulfonyl-2-ethylpyrrolidine is CCC1CCCN1S(=O)(=O)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)sulfonyl-2-ethylpyrrolidine?
The InChIKey is KZXSNAPRVRKWFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2S/c1-2-11-6-4-8-14(11)17(15,16)12-7-3-5-10(13)9-12/h3,5,7,9,11H,2,4,6,8H2,1H3.
What are the key properties of 1-(3-chlorophenyl)sulfonyl-2-ethylpyrrolidine?
1-(3-chlorophenyl)sulfonyl-2-ethylpyrrolidine has a molecular weight of 273.78 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)sulfonyl-2-ethylpyrrolidine is sourced from PubChem (CID 110604704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).