(2R)-2-[(4-chlorophenyl)sulfonylmethyl]pyrrolidine

C11H14ClNO2S — CID 86310736

IUPAC(2R)-2-[(4-chlorophenyl)sulfonylmethyl]pyrrolidine
SMILESO=S(=O)(C[C@H]1CCCN1)c1ccc(Cl)cc1
InChIInChI=1S/C11H14ClNO2S/c12-9-3-5-11(6-4-9)16(14,15)8-10-2-1-7-13-10/h3-6,10,13H,1-2,7-8H2/t10-/m1/s1
InChIKeyQPHGNMRGXPWJPO-SNVBAGLBSA-N
MW259.76 g/mol
LogP1.87
Rot. Bonds3

About (2R)-2-[(4-chlorophenyl)sulfonylmethyl]pyrrolidine

(2R)-2-[(4-chlorophenyl)sulfonylmethyl]pyrrolidine (PubChem CID 86310736) has the molecular formula C11H14ClNO2S and a molecular weight of 259.76 g/mol. Its IUPAC name is (2R)-2-[(4-chlorophenyl)sulfonylmethyl]pyrrolidine.

Molecular Properties

Compound Name(2R)-2-[(4-chlorophenyl)sulfonylmethyl]pyrrolidine
PubChem CID86310736
Molecular FormulaC11H14ClNO2S
Molecular Weight259.76 g/mol
Exact Mass259.04
IUPAC Name(2R)-2-[(4-chlorophenyl)sulfonylmethyl]pyrrolidine
SMILESO=S(=O)(C[C@H]1CCCN1)c1ccc(Cl)cc1
InChIInChI=1S/C11H14ClNO2S/c12-9-3-5-11(6-4-9)16(14,15)8-10-2-1-7-13-10/h3-6,10,13H,1-2,7-8H2/t10-/m1/s1
InChIKeyQPHGNMRGXPWJPO-SNVBAGLBSA-N
XLogP1.87
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.76
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(4-chlorophenyl)sulfonylmethyl]pyrrolidine
CID 42263000
4-(pyrrolidin-2-ylmethylsulfonyl)phenol
CID 84702717
(2S)-2-[(4-methoxyphenyl)sulfonylmethyl]pyrrolidine
CID 42263004
(2R)-2-[(4-bromophenyl)sulfonylmethyl]piperidine
CID 97301336
2-[(2,6-dichlorophenyl)sulfonylmethyl]pyrrolidine
CID 134086021
2-[2-(4-chlorophenyl)ethylsulfonylmethyl]pyrrolidine
CID 115071203
3-chloro-6-[[(2S)-pyrrolidin-2-yl]methylsulfonyl]pyridazine
CID 97163642
2-[(4-fluorophenyl)sulfonylmethyl]azetidine
CID 115071066
4-chloro-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106609514
2-(pyrrolidin-2-ylmethylsulfonyl)pyrimidine
CID 71645712
2-[3-(4-fluorophenyl)sulfonylpropyl]pyrrolidine
CID 112741662
2-chloro-3-(piperidin-2-ylmethylsulfonyl)quinoxaline
CID 71639761

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-chlorophenyl)sulfonylmethyl]pyrrolidine?
The IUPAC name of (2R)-2-[(4-chlorophenyl)sulfonylmethyl]pyrrolidine (CID 86310736) is (2R)-2-[(4-chlorophenyl)sulfonylmethyl]pyrrolidine.
What is the SMILES notation for (2R)-2-[(4-chlorophenyl)sulfonylmethyl]pyrrolidine?
The canonical SMILES for (2R)-2-[(4-chlorophenyl)sulfonylmethyl]pyrrolidine is O=S(=O)(C[C@H]1CCCN1)c1ccc(Cl)cc1.
What is the InChIKey of (2R)-2-[(4-chlorophenyl)sulfonylmethyl]pyrrolidine?
The InChIKey is QPHGNMRGXPWJPO-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H14ClNO2S/c12-9-3-5-11(6-4-9)16(14,15)8-10-2-1-7-13-10/h3-6,10,13H,1-2,7-8H2/t10-/m1/s1.
What are the key properties of (2R)-2-[(4-chlorophenyl)sulfonylmethyl]pyrrolidine?
(2R)-2-[(4-chlorophenyl)sulfonylmethyl]pyrrolidine has a molecular weight of 259.76 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-chlorophenyl)sulfonylmethyl]pyrrolidine is sourced from PubChem (CID 86310736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).