1-[1-(2-chlorophenyl)sulfonylpyrrolidin-2-yl]-2,2-dimethylpropan-1-one

C15H20ClNO3S — CID 23597176

IUPAC1-[1-(2-chlorophenyl)sulfonylpyrrolidin-2-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)C1CCCN1S(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C15H20ClNO3S/c1-15(2,3)14(18)12-8-6-10-17(12)21(19,20)13-9-5-4-7-11(13)16/h4-5,7,9,12H,6,8,10H2,1-3H3
InChIKeyOLVNQHWMNWRTMJ-UHFFFAOYSA-N
MW329.85 g/mol
LogP3.11
Rot. Bonds3

About 1-[1-(2-chlorophenyl)sulfonylpyrrolidin-2-yl]-2,2-dimethylpropan-1-one

1-[1-(2-chlorophenyl)sulfonylpyrrolidin-2-yl]-2,2-dimethylpropan-1-one (PubChem CID 23597176) has the molecular formula C15H20ClNO3S and a molecular weight of 329.85 g/mol. Its IUPAC name is 1-[1-(2-chlorophenyl)sulfonylpyrrolidin-2-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[1-(2-chlorophenyl)sulfonylpyrrolidin-2-yl]-2,2-dimethylpropan-1-one
PubChem CID23597176
Molecular FormulaC15H20ClNO3S
Molecular Weight329.85 g/mol
Exact Mass329.09
IUPAC Name1-[1-(2-chlorophenyl)sulfonylpyrrolidin-2-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)C1CCCN1S(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C15H20ClNO3S/c1-15(2,3)14(18)12-8-6-10-17(12)21(19,20)13-9-5-4-7-11(13)16/h4-5,7,9,12H,6,8,10H2,1-3H3
InChIKeyOLVNQHWMNWRTMJ-UHFFFAOYSA-N
XLogP3.11
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.85
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-1-(2-chlorophenyl)sulfonylpyrrolidin-2-yl]-(4-methylphenyl)methanone
CID 129367282
[1-(2-chlorophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 61408875
1-(3-chloro-2-methylphenyl)sulfonylpiperidine-2-carboxylic acid
CID 43361313
(2R)-1-(2-chlorophenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
CID 1487050
1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxylic acid
CID 3854693
(2S)-1-(2-tert-butylphenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 54048299
(2R)-1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxylic acid
CID 2384447
1-(2-chlorophenyl)sulfonyl-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide
CID 55598353
1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxamide
CID 60519923
(2R)-1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxylate
CID 2384446
(2R)-1-(8-chloronaphthalen-1-yl)sulfonylpyrrolidine-2-carboxylate
CID 7201386
N-[2-[1-(2-chlorophenyl)sulfonylpyrrolidin-2-yl]ethyl]cyclooctanecarboxamide;methane
CID 173136016

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-chlorophenyl)sulfonylpyrrolidin-2-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[1-(2-chlorophenyl)sulfonylpyrrolidin-2-yl]-2,2-dimethylpropan-1-one (CID 23597176) is 1-[1-(2-chlorophenyl)sulfonylpyrrolidin-2-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[1-(2-chlorophenyl)sulfonylpyrrolidin-2-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[1-(2-chlorophenyl)sulfonylpyrrolidin-2-yl]-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)C1CCCN1S(=O)(=O)c1ccccc1Cl.
What is the InChIKey of 1-[1-(2-chlorophenyl)sulfonylpyrrolidin-2-yl]-2,2-dimethylpropan-1-one?
The InChIKey is OLVNQHWMNWRTMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO3S/c1-15(2,3)14(18)12-8-6-10-17(12)21(19,20)13-9-5-4-7-11(13)16/h4-5,7,9,12H,6,8,10H2,1-3H3.
What are the key properties of 1-[1-(2-chlorophenyl)sulfonylpyrrolidin-2-yl]-2,2-dimethylpropan-1-one?
1-[1-(2-chlorophenyl)sulfonylpyrrolidin-2-yl]-2,2-dimethylpropan-1-one has a molecular weight of 329.85 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-chlorophenyl)sulfonylpyrrolidin-2-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 23597176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).