1-(2-chlorophenyl)sulfonylpiperidine-2-carboxylic acid

C12H14ClNO4S — CID 3812420

IUPAC1-(2-chlorophenyl)sulfonylpiperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1S(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C12H14ClNO4S/c13-9-5-1-2-7-11(9)19(17,18)14-8-4-3-6-10(14)12(15)16/h1-2,5,7,10H,3-4,6,8H2,(H,15,16)
InChIKeyMOUSWKSFMZFOSK-UHFFFAOYSA-N
MW303.77 g/mol
LogP1.97
Rot. Bonds3

About 1-(2-chlorophenyl)sulfonylpiperidine-2-carboxylic acid

1-(2-chlorophenyl)sulfonylpiperidine-2-carboxylic acid (PubChem CID 3812420) has the molecular formula C12H14ClNO4S and a molecular weight of 303.77 g/mol. Its IUPAC name is 1-(2-chlorophenyl)sulfonylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2-chlorophenyl)sulfonylpiperidine-2-carboxylic acid
PubChem CID3812420
Molecular FormulaC12H14ClNO4S
Molecular Weight303.77 g/mol
Exact Mass303.03
IUPAC Name1-(2-chlorophenyl)sulfonylpiperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1S(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C12H14ClNO4S/c13-9-5-1-2-7-11(9)19(17,18)14-8-4-3-6-10(14)12(15)16/h1-2,5,7,10H,3-4,6,8H2,(H,15,16)
InChIKeyMOUSWKSFMZFOSK-UHFFFAOYSA-N
XLogP1.97
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.77
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 2765064
CID 2765064
CID 624110
CID 624110
CID 2769957
CID 2769957
CID 43084222
CID 43084222
CID 3149457
CID 3149457
CID 2936747
CID 2936747
CID 4157570
CID 4157570
CID 2769958
CID 2769958
CID 2765065
CID 2765065
CID 44116860
CID 44116860
CID 737255
CID 737255
CID 768662
CID 768662

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)sulfonylpiperidine-2-carboxylic acid?
The IUPAC name of 1-(2-chlorophenyl)sulfonylpiperidine-2-carboxylic acid (CID 3812420) is 1-(2-chlorophenyl)sulfonylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-(2-chlorophenyl)sulfonylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-(2-chlorophenyl)sulfonylpiperidine-2-carboxylic acid is O=C(O)C1CCCCN1S(=O)(=O)c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)sulfonylpiperidine-2-carboxylic acid?
The InChIKey is MOUSWKSFMZFOSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO4S/c13-9-5-1-2-7-11(9)19(17,18)14-8-4-3-6-10(14)12(15)16/h1-2,5,7,10H,3-4,6,8H2,(H,15,16).
What are the key properties of 1-(2-chlorophenyl)sulfonylpiperidine-2-carboxylic acid?
1-(2-chlorophenyl)sulfonylpiperidine-2-carboxylic acid has a molecular weight of 303.77 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)sulfonylpiperidine-2-carboxylic acid is sourced from PubChem (CID 3812420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).