1-(3-chlorophenyl)sulfonyl-2-propan-2-ylpyrrolidine

C13H18ClNO2S — CID 110728313

IUPAC1-(3-chlorophenyl)sulfonyl-2-propan-2-ylpyrrolidine
SMILESCC(C)C1CCCN1S(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C13H18ClNO2S/c1-10(2)13-7-4-8-15(13)18(16,17)12-6-3-5-11(14)9-12/h3,5-6,9-10,13H,4,7-8H2,1-2H3
InChIKeyCBICUWKBKAXOKN-UHFFFAOYSA-N
MW287.81 g/mol
LogP3.15
Rot. Bonds3

About 1-(3-chlorophenyl)sulfonyl-2-propan-2-ylpyrrolidine

1-(3-chlorophenyl)sulfonyl-2-propan-2-ylpyrrolidine (PubChem CID 110728313) has the molecular formula C13H18ClNO2S and a molecular weight of 287.81 g/mol. Its IUPAC name is 1-(3-chlorophenyl)sulfonyl-2-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name1-(3-chlorophenyl)sulfonyl-2-propan-2-ylpyrrolidine
PubChem CID110728313
Molecular FormulaC13H18ClNO2S
Molecular Weight287.81 g/mol
Exact Mass287.07
IUPAC Name1-(3-chlorophenyl)sulfonyl-2-propan-2-ylpyrrolidine
SMILESCC(C)C1CCCN1S(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C13H18ClNO2S/c1-10(2)13-7-4-8-15(13)18(16,17)12-6-3-5-11(14)9-12/h3,5-6,9-10,13H,4,7-8H2,1-2H3
InChIKeyCBICUWKBKAXOKN-UHFFFAOYSA-N
XLogP3.15
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.81
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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1-(3-chlorophenyl)sulfonylazepan-2-amine
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2-fluoro-4-(2-propan-2-ylpyrrolidin-1-yl)sulfonylaniline
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2-(chloromethyl)-1-(3-chlorophenyl)sulfonylpiperidine
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2-benzyl-1-(3-chlorophenyl)sulfonylpyrrolidine
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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)sulfonyl-2-propan-2-ylpyrrolidine?
The IUPAC name of 1-(3-chlorophenyl)sulfonyl-2-propan-2-ylpyrrolidine (CID 110728313) is 1-(3-chlorophenyl)sulfonyl-2-propan-2-ylpyrrolidine.
What is the SMILES notation for 1-(3-chlorophenyl)sulfonyl-2-propan-2-ylpyrrolidine?
The canonical SMILES for 1-(3-chlorophenyl)sulfonyl-2-propan-2-ylpyrrolidine is CC(C)C1CCCN1S(=O)(=O)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)sulfonyl-2-propan-2-ylpyrrolidine?
The InChIKey is CBICUWKBKAXOKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2S/c1-10(2)13-7-4-8-15(13)18(16,17)12-6-3-5-11(14)9-12/h3,5-6,9-10,13H,4,7-8H2,1-2H3.
What are the key properties of 1-(3-chlorophenyl)sulfonyl-2-propan-2-ylpyrrolidine?
1-(3-chlorophenyl)sulfonyl-2-propan-2-ylpyrrolidine has a molecular weight of 287.81 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)sulfonyl-2-propan-2-ylpyrrolidine is sourced from PubChem (CID 110728313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).