(2R)-1-(4-chloro-2-fluorophenyl)sulfonylpiperidine-2-carboxylic acid

C12H13ClFNO4S — CID 79034860

IUPAC(2R)-1-(4-chloro-2-fluorophenyl)sulfonylpiperidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C12H13ClFNO4S/c13-8-4-5-11(9(14)7-8)20(18,19)15-6-2-1-3-10(15)12(16)17/h4-5,7,10H,1-3,6H2,(H,16,17)/t10-/m1/s1
InChIKeyNSYKZINWXLJADX-SNVBAGLBSA-N
MW321.76 g/mol
LogP2.11
Rot. Bonds3

About (2R)-1-(4-chloro-2-fluorophenyl)sulfonylpiperidine-2-carboxylic acid

(2R)-1-(4-chloro-2-fluorophenyl)sulfonylpiperidine-2-carboxylic acid (PubChem CID 79034860) has the molecular formula C12H13ClFNO4S and a molecular weight of 321.76 g/mol. Its IUPAC name is (2R)-1-(4-chloro-2-fluorophenyl)sulfonylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-(4-chloro-2-fluorophenyl)sulfonylpiperidine-2-carboxylic acid
PubChem CID79034860
Molecular FormulaC12H13ClFNO4S
Molecular Weight321.76 g/mol
Exact Mass321.02
IUPAC Name(2R)-1-(4-chloro-2-fluorophenyl)sulfonylpiperidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C12H13ClFNO4S/c13-8-4-5-11(9(14)7-8)20(18,19)15-6-2-1-3-10(15)12(16)17/h4-5,7,10H,1-3,6H2,(H,16,17)/t10-/m1/s1
InChIKeyNSYKZINWXLJADX-SNVBAGLBSA-N
XLogP2.11
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.76
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chloro-2-fluorophenyl)sulfonylazepane-2-carboxylic acid
CID 64559200
1-(5-chloro-2-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 122068626
(2R)-1-(5-chloro-2-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 122069689
1-(4-chloro-2-methylphenyl)sulfonylpiperidine-2-carboxylic acid
CID 43361310
4-(4-chloro-2-fluorophenyl)sulfonylthiomorpholine-3-carboxylic acid
CID 78980358
1-(3,4-difluorophenyl)sulfonylpiperidine-2-carboxylic acid
CID 43235907
2-[1-(4-chloro-2-fluorophenyl)sulfonylpiperidin-2-yl]ethanol
CID 60957878
(2R,4R)-1-(4-chloro-2-fluorophenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxylic acid
CID 78999468
(2S)-1-[2-chloro-4-(trifluoromethyl)phenyl]sulfonylpiperidine-2-carboxylic acid
CID 91440757
(2S)-1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 103862650
(2R)-1-(5-carboxy-2-chlorophenyl)sulfonylpiperidine-2-carboxylic acid
CID 2100876
(2R)-1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 103862709

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-chloro-2-fluorophenyl)sulfonylpiperidine-2-carboxylic acid?
The IUPAC name of (2R)-1-(4-chloro-2-fluorophenyl)sulfonylpiperidine-2-carboxylic acid (CID 79034860) is (2R)-1-(4-chloro-2-fluorophenyl)sulfonylpiperidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-(4-chloro-2-fluorophenyl)sulfonylpiperidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-(4-chloro-2-fluorophenyl)sulfonylpiperidine-2-carboxylic acid is O=C(O)[C@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1F.
What is the InChIKey of (2R)-1-(4-chloro-2-fluorophenyl)sulfonylpiperidine-2-carboxylic acid?
The InChIKey is NSYKZINWXLJADX-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H13ClFNO4S/c13-8-4-5-11(9(14)7-8)20(18,19)15-6-2-1-3-10(15)12(16)17/h4-5,7,10H,1-3,6H2,(H,16,17)/t10-/m1/s1.
What are the key properties of (2R)-1-(4-chloro-2-fluorophenyl)sulfonylpiperidine-2-carboxylic acid?
(2R)-1-(4-chloro-2-fluorophenyl)sulfonylpiperidine-2-carboxylic acid has a molecular weight of 321.76 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-chloro-2-fluorophenyl)sulfonylpiperidine-2-carboxylic acid is sourced from PubChem (CID 79034860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).