1-[(4-chlorophenyl)methylsulfonyl]pyrrolidine

C11H14ClNO2S — CID 2229593

IUPAC1-[(4-chlorophenyl)methylsulfonyl]pyrrolidine
SMILESO=S(=O)(Cc1ccc(Cl)cc1)N1CCCC1
InChIInChI=1S/C11H14ClNO2S/c12-11-5-3-10(4-6-11)9-16(14,15)13-7-1-2-8-13/h3-6H,1-2,7-9H2
InChIKeyVDYPIECQOSBQTB-UHFFFAOYSA-N
MW259.76 g/mol
LogP2.27
Rot. Bonds3

About 1-[(4-chlorophenyl)methylsulfonyl]pyrrolidine

1-[(4-chlorophenyl)methylsulfonyl]pyrrolidine (PubChem CID 2229593) has the molecular formula C11H14ClNO2S and a molecular weight of 259.76 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methylsulfonyl]pyrrolidine.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methylsulfonyl]pyrrolidine
PubChem CID2229593
Molecular FormulaC11H14ClNO2S
Molecular Weight259.76 g/mol
Exact Mass259.04
IUPAC Name1-[(4-chlorophenyl)methylsulfonyl]pyrrolidine
SMILESO=S(=O)(Cc1ccc(Cl)cc1)N1CCCC1
InChIInChI=1S/C11H14ClNO2S/c12-11-5-3-10(4-6-11)9-16(14,15)13-7-1-2-8-13/h3-6H,1-2,7-9H2
InChIKeyVDYPIECQOSBQTB-UHFFFAOYSA-N
XLogP2.27
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.76
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methylsulfonyl]pyrrolidine?
The IUPAC name of 1-[(4-chlorophenyl)methylsulfonyl]pyrrolidine (CID 2229593) is 1-[(4-chlorophenyl)methylsulfonyl]pyrrolidine.
What is the SMILES notation for 1-[(4-chlorophenyl)methylsulfonyl]pyrrolidine?
The canonical SMILES for 1-[(4-chlorophenyl)methylsulfonyl]pyrrolidine is O=S(=O)(Cc1ccc(Cl)cc1)N1CCCC1.
What is the InChIKey of 1-[(4-chlorophenyl)methylsulfonyl]pyrrolidine?
The InChIKey is VDYPIECQOSBQTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO2S/c12-11-5-3-10(4-6-11)9-16(14,15)13-7-1-2-8-13/h3-6H,1-2,7-9H2.
What are the key properties of 1-[(4-chlorophenyl)methylsulfonyl]pyrrolidine?
1-[(4-chlorophenyl)methylsulfonyl]pyrrolidine has a molecular weight of 259.76 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methylsulfonyl]pyrrolidine is sourced from PubChem (CID 2229593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).