(2S)-1-(3-chlorophenyl)sulfonylpyrrolidine-2-carboxylic acid

C11H12ClNO4S — CID 45290955

IUPAC(2S)-1-(3-chlorophenyl)sulfonylpyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN1S(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C11H12ClNO4S/c12-8-3-1-4-9(7-8)18(16,17)13-6-2-5-10(13)11(14)15/h1,3-4,7,10H,2,5-6H2,(H,14,15)/t10-/m0/s1
InChIKeyCXDCZBNJZWAXSZ-JTQLQIEISA-N
MW289.74 g/mol
LogP1.58
Rot. Bonds3

About (2S)-1-(3-chlorophenyl)sulfonylpyrrolidine-2-carboxylic acid

(2S)-1-(3-chlorophenyl)sulfonylpyrrolidine-2-carboxylic acid (PubChem CID 45290955) has the molecular formula C11H12ClNO4S and a molecular weight of 289.74 g/mol. Its IUPAC name is (2S)-1-(3-chlorophenyl)sulfonylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-(3-chlorophenyl)sulfonylpyrrolidine-2-carboxylic acid
PubChem CID45290955
Molecular FormulaC11H12ClNO4S
Molecular Weight289.74 g/mol
Exact Mass289.02
IUPAC Name(2S)-1-(3-chlorophenyl)sulfonylpyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN1S(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C11H12ClNO4S/c12-8-3-1-4-9(7-8)18(16,17)13-6-2-5-10(13)11(14)15/h1,3-4,7,10H,2,5-6H2,(H,14,15)/t10-/m0/s1
InChIKeyCXDCZBNJZWAXSZ-JTQLQIEISA-N
XLogP1.58
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.74
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-(3-sulfamoylphenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 78920787
(2R)-1-(3-methoxyphenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 2215364
[3-[(2R)-2-carboxypyrrolidin-1-yl]sulfonylphenyl]-methyl-oxoazanium
CID 7063075
(2R)-1-(4-chloro-3-nitrophenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 10991265
1-(3-chlorophenyl)sulfonyl-2-cyclobutylpyrrolidine
CID 110871963
3-(3-chlorophenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid
CID 43113873
1-[3-(diethylsulfamoyl)phenyl]sulfonylpyrrolidine-2-carboxylic acid
CID 120782397
1-(5-chloro-2-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 122068626
(2R)-1-(5-chloro-2-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 122069689
1-(3-chlorophenyl)sulfonyl-2-ethylpyrrolidine
CID 110604704
1-(3-chlorophenyl)sulfonyl-2-propan-2-ylpyrrolidine
CID 110728313
2-benzyl-1-(3-chlorophenyl)sulfonylpyrrolidine
CID 24627301

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(3-chlorophenyl)sulfonylpyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-(3-chlorophenyl)sulfonylpyrrolidine-2-carboxylic acid (CID 45290955) is (2S)-1-(3-chlorophenyl)sulfonylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-(3-chlorophenyl)sulfonylpyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-(3-chlorophenyl)sulfonylpyrrolidine-2-carboxylic acid is O=C(O)[C@@H]1CCCN1S(=O)(=O)c1cccc(Cl)c1.
What is the InChIKey of (2S)-1-(3-chlorophenyl)sulfonylpyrrolidine-2-carboxylic acid?
The InChIKey is CXDCZBNJZWAXSZ-JTQLQIEISA-N. The full InChI is InChI=1S/C11H12ClNO4S/c12-8-3-1-4-9(7-8)18(16,17)13-6-2-5-10(13)11(14)15/h1,3-4,7,10H,2,5-6H2,(H,14,15)/t10-/m0/s1.
What are the key properties of (2S)-1-(3-chlorophenyl)sulfonylpyrrolidine-2-carboxylic acid?
(2S)-1-(3-chlorophenyl)sulfonylpyrrolidine-2-carboxylic acid has a molecular weight of 289.74 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(3-chlorophenyl)sulfonylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 45290955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).