1-(3-chlorophenyl)sulfonylpyrrolidine

C10H12ClNO2S — CID 890981

IUPAC1-(3-chlorophenyl)sulfonylpyrrolidine
SMILESO=S(=O)(c1cccc(Cl)c1)N1CCCC1
InChIInChI=1S/C10H12ClNO2S/c11-9-4-3-5-10(8-9)15(13,14)12-6-1-2-7-12/h3-5,8H,1-2,6-7H2
InChIKeyZNZXPUJFWPBWFF-UHFFFAOYSA-N
MW245.73 g/mol
LogP2.12
Rot. Bonds2

About 1-(3-chlorophenyl)sulfonylpyrrolidine

1-(3-chlorophenyl)sulfonylpyrrolidine (PubChem CID 890981) has the molecular formula C10H12ClNO2S and a molecular weight of 245.73 g/mol. Its IUPAC name is 1-(3-chlorophenyl)sulfonylpyrrolidine.

Molecular Properties

Compound Name1-(3-chlorophenyl)sulfonylpyrrolidine
PubChem CID890981
Molecular FormulaC10H12ClNO2S
Molecular Weight245.73 g/mol
Exact Mass245.03
IUPAC Name1-(3-chlorophenyl)sulfonylpyrrolidine
SMILESO=S(=O)(c1cccc(Cl)c1)N1CCCC1
InChIInChI=1S/C10H12ClNO2S/c11-9-4-3-5-10(8-9)15(13,14)12-6-1-2-7-12/h3-5,8H,1-2,6-7H2
InChIKeyZNZXPUJFWPBWFF-UHFFFAOYSA-N
XLogP2.12
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.73
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)sulfonylpyrrolidine?
The IUPAC name of 1-(3-chlorophenyl)sulfonylpyrrolidine (CID 890981) is 1-(3-chlorophenyl)sulfonylpyrrolidine.
What is the SMILES notation for 1-(3-chlorophenyl)sulfonylpyrrolidine?
The canonical SMILES for 1-(3-chlorophenyl)sulfonylpyrrolidine is O=S(=O)(c1cccc(Cl)c1)N1CCCC1.
What is the InChIKey of 1-(3-chlorophenyl)sulfonylpyrrolidine?
The InChIKey is ZNZXPUJFWPBWFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO2S/c11-9-4-3-5-10(8-9)15(13,14)12-6-1-2-7-12/h3-5,8H,1-2,6-7H2.
What are the key properties of 1-(3-chlorophenyl)sulfonylpyrrolidine?
1-(3-chlorophenyl)sulfonylpyrrolidine has a molecular weight of 245.73 g/mol, XLogP of 2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)sulfonylpyrrolidine is sourced from PubChem (CID 890981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).