(2R)-1-(5-carboxy-2-chlorophenyl)sulfonylpiperidine-2-carboxylic acid

C13H14ClNO6S — CID 2100876

IUPAC(2R)-1-(5-carboxy-2-chlorophenyl)sulfonylpiperidine-2-carboxylic acid
SMILESO=C(O)c1ccc(Cl)c(S(=O)(=O)N2CCCC[C@@H]2C(=O)O)c1
InChIInChI=1S/C13H14ClNO6S/c14-9-5-4-8(12(16)17)7-11(9)22(20,21)15-6-2-1-3-10(15)13(18)19/h4-5,7,10H,1-3,6H2,(H,16,17)(H,18,19)/t10-/m1/s1
InChIKeyCOULNJKXIDQREF-SNVBAGLBSA-N
MW347.78 g/mol
LogP1.67
Rot. Bonds4

About (2R)-1-(5-carboxy-2-chlorophenyl)sulfonylpiperidine-2-carboxylic acid

(2R)-1-(5-carboxy-2-chlorophenyl)sulfonylpiperidine-2-carboxylic acid (PubChem CID 2100876) has the molecular formula C13H14ClNO6S and a molecular weight of 347.78 g/mol. Its IUPAC name is (2R)-1-(5-carboxy-2-chlorophenyl)sulfonylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-(5-carboxy-2-chlorophenyl)sulfonylpiperidine-2-carboxylic acid
PubChem CID2100876
Molecular FormulaC13H14ClNO6S
Molecular Weight347.78 g/mol
Exact Mass347.02
IUPAC Name(2R)-1-(5-carboxy-2-chlorophenyl)sulfonylpiperidine-2-carboxylic acid
SMILESO=C(O)c1ccc(Cl)c(S(=O)(=O)N2CCCC[C@@H]2C(=O)O)c1
InChIInChI=1S/C13H14ClNO6S/c14-9-5-4-8(12(16)17)7-11(9)22(20,21)15-6-2-1-3-10(15)13(18)19/h4-5,7,10H,1-3,6H2,(H,16,17)(H,18,19)/t10-/m1/s1
InChIKeyCOULNJKXIDQREF-SNVBAGLBSA-N
XLogP1.67
TPSA111.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.78
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-3-[(2R)-2-ethylpiperidin-1-yl]sulfonylbenzoic acid
CID 93267676
4-chloro-3-(2-methylpyrrolidin-1-yl)sulfonylbenzoic acid
CID 54898052
(2S)-1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 103862650
(2R)-1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 103862709
(2R)-1-(5-carboxylato-2-chlorophenyl)sulfonylpyrrolidine-2-carboxylate
CID 2327746
(2S)-1-[2-chloro-4-(trifluoromethyl)phenyl]sulfonylpiperidine-2-carboxylic acid
CID 91440757
1-(3-chloro-2-methylphenyl)sulfonylpiperidine-2-carboxylic acid
CID 43361313
(2R)-1-(4-chloro-2-fluorophenyl)sulfonylpiperidine-2-carboxylic acid
CID 79034860
1-(4-chloro-2-fluorophenyl)sulfonylazepane-2-carboxylic acid
CID 64559200
4-[(2R)-2-carbamoylpyrrolidin-1-yl]sulfonyl-3-chlorobenzoic acid
CID 146131026
1-(4-chloro-2-methylphenyl)sulfonylpiperidine-2-carboxylic acid
CID 43361310
1-(4-bromo-2-chlorophenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 43084223

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(5-carboxy-2-chlorophenyl)sulfonylpiperidine-2-carboxylic acid?
The IUPAC name of (2R)-1-(5-carboxy-2-chlorophenyl)sulfonylpiperidine-2-carboxylic acid (CID 2100876) is (2R)-1-(5-carboxy-2-chlorophenyl)sulfonylpiperidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-(5-carboxy-2-chlorophenyl)sulfonylpiperidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-(5-carboxy-2-chlorophenyl)sulfonylpiperidine-2-carboxylic acid is O=C(O)c1ccc(Cl)c(S(=O)(=O)N2CCCC[C@@H]2C(=O)O)c1.
What is the InChIKey of (2R)-1-(5-carboxy-2-chlorophenyl)sulfonylpiperidine-2-carboxylic acid?
The InChIKey is COULNJKXIDQREF-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H14ClNO6S/c14-9-5-4-8(12(16)17)7-11(9)22(20,21)15-6-2-1-3-10(15)13(18)19/h4-5,7,10H,1-3,6H2,(H,16,17)(H,18,19)/t10-/m1/s1.
What are the key properties of (2R)-1-(5-carboxy-2-chlorophenyl)sulfonylpiperidine-2-carboxylic acid?
(2R)-1-(5-carboxy-2-chlorophenyl)sulfonylpiperidine-2-carboxylic acid has a molecular weight of 347.78 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(5-carboxy-2-chlorophenyl)sulfonylpiperidine-2-carboxylic acid is sourced from PubChem (CID 2100876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).