2-benzyl-1-(3-chlorophenyl)sulfonylpyrrolidine

C17H18ClNO2S — CID 24627301

IUPAC2-benzyl-1-(3-chlorophenyl)sulfonylpyrrolidine
SMILESO=S(=O)(c1cccc(Cl)c1)N1CCCC1Cc1ccccc1
InChIInChI=1S/C17H18ClNO2S/c18-15-8-4-10-17(13-15)22(20,21)19-11-5-9-16(19)12-14-6-2-1-3-7-14/h1-4,6-8,10,13,16H,5,9,11-12H2
InChIKeyHKQLOXMCCBHMJO-UHFFFAOYSA-N
MW335.86 g/mol
LogP3.74
Rot. Bonds4

About 2-benzyl-1-(3-chlorophenyl)sulfonylpyrrolidine

2-benzyl-1-(3-chlorophenyl)sulfonylpyrrolidine (PubChem CID 24627301) has the molecular formula C17H18ClNO2S and a molecular weight of 335.86 g/mol. Its IUPAC name is 2-benzyl-1-(3-chlorophenyl)sulfonylpyrrolidine.

Molecular Properties

Compound Name2-benzyl-1-(3-chlorophenyl)sulfonylpyrrolidine
PubChem CID24627301
Molecular FormulaC17H18ClNO2S
Molecular Weight335.86 g/mol
Exact Mass335.07
IUPAC Name2-benzyl-1-(3-chlorophenyl)sulfonylpyrrolidine
SMILESO=S(=O)(c1cccc(Cl)c1)N1CCCC1Cc1ccccc1
InChIInChI=1S/C17H18ClNO2S/c18-15-8-4-10-17(13-15)22(20,21)19-11-5-9-16(19)12-14-6-2-1-3-7-14/h1-4,6-8,10,13,16H,5,9,11-12H2
InChIKeyHKQLOXMCCBHMJO-UHFFFAOYSA-N
XLogP3.74
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.86
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-(3-chlorophenyl)sulfonyl-2-(phenylmethoxymethyl)pyrrolidine
CID 141047061
1-(3-chlorophenyl)sulfonyl-2-ethylpyrrolidine
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2-(chloromethyl)-1-(3-chlorophenyl)sulfonylpiperidine
CID 63396610
(2S)-1-(3-chlorophenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 45290955
2-[1-(3-chlorophenyl)sulfonylpiperidin-2-yl]acetamide
CID 70264662
3-[2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]sulfonylbenzoic acid
CID 110607825
1-(3-chlorophenyl)sulfonyl-2-cyclobutylpyrrolidine
CID 110871963
2-[(2R)-1-(benzenesulfonyl)piperidin-2-yl]-N-(3-chlorophenyl)acetamide
CID 42065079
1-(3-chlorophenyl)sulfonyl-2-propan-2-ylpyrrolidine
CID 110728313
2-(benzenesulfonylmethyl)-1-(4-chlorophenyl)sulfonylpyrrolidine
CID 90585721
1-(3-chlorophenyl)sulfonylazepan-2-amine
CID 64560340
1-[2-[1-(3-chlorophenyl)sulfonylpyrrolidin-2-yl]ethyl]-4-methylpiperidine;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 11853608

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1-(3-chlorophenyl)sulfonylpyrrolidine?
The IUPAC name of 2-benzyl-1-(3-chlorophenyl)sulfonylpyrrolidine (CID 24627301) is 2-benzyl-1-(3-chlorophenyl)sulfonylpyrrolidine.
What is the SMILES notation for 2-benzyl-1-(3-chlorophenyl)sulfonylpyrrolidine?
The canonical SMILES for 2-benzyl-1-(3-chlorophenyl)sulfonylpyrrolidine is O=S(=O)(c1cccc(Cl)c1)N1CCCC1Cc1ccccc1.
What is the InChIKey of 2-benzyl-1-(3-chlorophenyl)sulfonylpyrrolidine?
The InChIKey is HKQLOXMCCBHMJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO2S/c18-15-8-4-10-17(13-15)22(20,21)19-11-5-9-16(19)12-14-6-2-1-3-7-14/h1-4,6-8,10,13,16H,5,9,11-12H2.
What are the key properties of 2-benzyl-1-(3-chlorophenyl)sulfonylpyrrolidine?
2-benzyl-1-(3-chlorophenyl)sulfonylpyrrolidine has a molecular weight of 335.86 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1-(3-chlorophenyl)sulfonylpyrrolidine is sourced from PubChem (CID 24627301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).