1-(3-chlorophenyl)sulfonyl-2-cyclobutylpyrrolidine

C14H18ClNO2S — CID 110871963

IUPAC1-(3-chlorophenyl)sulfonyl-2-cyclobutylpyrrolidine
SMILESO=S(=O)(c1cccc(Cl)c1)N1CCCC1C1CCC1
InChIInChI=1S/C14H18ClNO2S/c15-12-6-2-7-13(10-12)19(17,18)16-9-3-8-14(16)11-4-1-5-11/h2,6-7,10-11,14H,1,3-5,8-9H2
InChIKeyCGFAIHTVJBZQCY-UHFFFAOYSA-N
MW299.82 g/mol
LogP3.29
Rot. Bonds3

About 1-(3-chlorophenyl)sulfonyl-2-cyclobutylpyrrolidine

1-(3-chlorophenyl)sulfonyl-2-cyclobutylpyrrolidine (PubChem CID 110871963) has the molecular formula C14H18ClNO2S and a molecular weight of 299.82 g/mol. Its IUPAC name is 1-(3-chlorophenyl)sulfonyl-2-cyclobutylpyrrolidine.

Molecular Properties

Compound Name1-(3-chlorophenyl)sulfonyl-2-cyclobutylpyrrolidine
PubChem CID110871963
Molecular FormulaC14H18ClNO2S
Molecular Weight299.82 g/mol
Exact Mass299.07
IUPAC Name1-(3-chlorophenyl)sulfonyl-2-cyclobutylpyrrolidine
SMILESO=S(=O)(c1cccc(Cl)c1)N1CCCC1C1CCC1
InChIInChI=1S/C14H18ClNO2S/c15-12-6-2-7-13(10-12)19(17,18)16-9-3-8-14(16)11-4-1-5-11/h2,6-7,10-11,14H,1,3-5,8-9H2
InChIKeyCGFAIHTVJBZQCY-UHFFFAOYSA-N
XLogP3.29
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.82
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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(4aS,8aR)-1-(4-chlorophenyl)sulfonyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
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(2S)-1-(3-chlorophenyl)sulfonylpyrrolidine-2-carboxylic acid
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1-(3-chlorophenyl)sulfonyl-2-ethylpyrrolidine
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1-(3-bromo-4-chlorophenyl)sulfonyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
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2-chloro-4-(2-cyclopentylpyrrolidin-1-yl)sulfonylaniline
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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)sulfonyl-2-cyclobutylpyrrolidine?
The IUPAC name of 1-(3-chlorophenyl)sulfonyl-2-cyclobutylpyrrolidine (CID 110871963) is 1-(3-chlorophenyl)sulfonyl-2-cyclobutylpyrrolidine.
What is the SMILES notation for 1-(3-chlorophenyl)sulfonyl-2-cyclobutylpyrrolidine?
The canonical SMILES for 1-(3-chlorophenyl)sulfonyl-2-cyclobutylpyrrolidine is O=S(=O)(c1cccc(Cl)c1)N1CCCC1C1CCC1.
What is the InChIKey of 1-(3-chlorophenyl)sulfonyl-2-cyclobutylpyrrolidine?
The InChIKey is CGFAIHTVJBZQCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2S/c15-12-6-2-7-13(10-12)19(17,18)16-9-3-8-14(16)11-4-1-5-11/h2,6-7,10-11,14H,1,3-5,8-9H2.
What are the key properties of 1-(3-chlorophenyl)sulfonyl-2-cyclobutylpyrrolidine?
1-(3-chlorophenyl)sulfonyl-2-cyclobutylpyrrolidine has a molecular weight of 299.82 g/mol, XLogP of 3.29, 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-cyclobutylpyrrolidine is sourced from PubChem (CID 110871963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).