3-(2,4-dichlorophenyl)sulfonylpyrrolidine

C10H11Cl2NO2S — CID 118797295

IUPAC3-(2,4-dichlorophenyl)sulfonylpyrrolidine
SMILESO=S(=O)(c1ccc(Cl)cc1Cl)C1CCNC1
InChIInChI=1S/C10H11Cl2NO2S/c11-7-1-2-10(9(12)5-7)16(14,15)8-3-4-13-6-8/h1-2,5,8,13H,3-4,6H2
InChIKeyIZUYFUDBAHYKML-UHFFFAOYSA-N
MW280.18 g/mol
LogP2.13
Rot. Bonds2

About 3-(2,4-dichlorophenyl)sulfonylpyrrolidine

3-(2,4-dichlorophenyl)sulfonylpyrrolidine (PubChem CID 118797295) has the molecular formula C10H11Cl2NO2S and a molecular weight of 280.18 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)sulfonylpyrrolidine.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)sulfonylpyrrolidine
PubChem CID118797295
Molecular FormulaC10H11Cl2NO2S
Molecular Weight280.18 g/mol
Exact Mass278.99
IUPAC Name3-(2,4-dichlorophenyl)sulfonylpyrrolidine
SMILESO=S(=O)(c1ccc(Cl)cc1Cl)C1CCNC1
InChIInChI=1S/C10H11Cl2NO2S/c11-7-1-2-10(9(12)5-7)16(14,15)8-3-4-13-6-8/h1-2,5,8,13H,3-4,6H2
InChIKeyIZUYFUDBAHYKML-UHFFFAOYSA-N
XLogP2.13
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.18
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-(2-chlorophenyl)sulfonylpyrrolidine
CID 67495805
4-(2-chloro-4-fluorophenyl)sulfonylpiperidine
CID 170075092
3-[3-chloro-4-(oxetan-3-ylsulfonyl)phenyl]pyrrolidine
CID 117485911
4-(2-chlorophenyl)sulfonylazepane
CID 115070332
2,5-dichloro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63298034
N-(2-chloro-5-fluorophenyl)pyrrolidine-3-sulfonamide
CID 114285118
(3R)-3-(4-methylphenyl)sulfonylpyrrolidine
CID 7016814
9-(2-bromo-4-chlorophenyl)sulfonyl-3,9-diazabicyclo[4.2.1]nonane;hydrochloride
CID 120719146
4-chloro-6-methyl-2-[(3R)-pyrrolidin-3-yl]sulfonylpyrimidine;hydrochloride
CID 71639162
2-chloro-4-[(3R)-pyrrolidin-3-yl]sulfonylpyrimidine;hydrochloride
CID 71640189
4-(2,4-dichlorophenyl)sulfonyl-3,5-dimethyl-4H-pyrazole
CID 59823147
4,6-dimethyl-2-[(3S)-pyrrolidin-3-yl]sulfonylpyrimidine
CID 71638314

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)sulfonylpyrrolidine?
The IUPAC name of 3-(2,4-dichlorophenyl)sulfonylpyrrolidine (CID 118797295) is 3-(2,4-dichlorophenyl)sulfonylpyrrolidine.
What is the SMILES notation for 3-(2,4-dichlorophenyl)sulfonylpyrrolidine?
The canonical SMILES for 3-(2,4-dichlorophenyl)sulfonylpyrrolidine is O=S(=O)(c1ccc(Cl)cc1Cl)C1CCNC1.
What is the InChIKey of 3-(2,4-dichlorophenyl)sulfonylpyrrolidine?
The InChIKey is IZUYFUDBAHYKML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2NO2S/c11-7-1-2-10(9(12)5-7)16(14,15)8-3-4-13-6-8/h1-2,5,8,13H,3-4,6H2.
What are the key properties of 3-(2,4-dichlorophenyl)sulfonylpyrrolidine?
3-(2,4-dichlorophenyl)sulfonylpyrrolidine has a molecular weight of 280.18 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)sulfonylpyrrolidine is sourced from PubChem (CID 118797295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).