1-(4-sulfamoylphenyl)sulfonylpiperidine-3-carboxylic acid

C12H16N2O6S2 — CID 23607546

IUPAC1-(4-sulfamoylphenyl)sulfonylpiperidine-3-carboxylic acid
SMILESNS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC(C(=O)O)C2)cc1
InChIInChI=1S/C12H16N2O6S2/c13-21(17,18)10-3-5-11(6-4-10)22(19,20)14-7-1-2-9(8-14)12(15)16/h3-6,9H,1-2,7-8H2,(H,15,16)(H2,13,17,18)
InChIKeyOKLXDZNYABUGCY-UHFFFAOYSA-N
MW348.40 g/mol
LogP-0.18
Rot. Bonds4

About 1-(4-sulfamoylphenyl)sulfonylpiperidine-3-carboxylic acid

1-(4-sulfamoylphenyl)sulfonylpiperidine-3-carboxylic acid (PubChem CID 23607546) has the molecular formula C12H16N2O6S2 and a molecular weight of 348.40 g/mol. Its IUPAC name is 1-(4-sulfamoylphenyl)sulfonylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(4-sulfamoylphenyl)sulfonylpiperidine-3-carboxylic acid
PubChem CID23607546
Molecular FormulaC12H16N2O6S2
Molecular Weight348.40 g/mol
Exact Mass348.04
IUPAC Name1-(4-sulfamoylphenyl)sulfonylpiperidine-3-carboxylic acid
SMILESNS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC(C(=O)O)C2)cc1
InChIInChI=1S/C12H16N2O6S2/c13-21(17,18)10-3-5-11(6-4-10)22(19,20)14-7-1-2-9(8-14)12(15)16/h3-6,9H,1-2,7-8H2,(H,15,16)(H2,13,17,18)
InChIKeyOKLXDZNYABUGCY-UHFFFAOYSA-N
XLogP-0.18
TPSA134.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-phenylphenyl)sulfonylpiperidine-3-carboxylic acid
CID 69368579
1-[4-(bromomethyl)phenyl]sulfonylpiperidine-3-carboxylic acid
CID 71649595
ethyl (3R)-1-(4-sulfamoylphenyl)sulfonylpiperidine-3-carboxylate
CID 2198274
(3S)-1-[4-(cyanomethyl)phenyl]sulfonylpiperidine-3-carboxylic acid
CID 81120949
1-(4-methylphenyl)sulfonyl-N-(4-sulfamoylphenyl)piperidine-3-carboxamide
CID 16863432
1-(furan-3-ylsulfonyl)piperidine-3-carboxylic acid
CID 120968848
(3S)-1-(4-aminophenyl)sulfonylpiperidine-3-carboxylate
CID 6951914
(3R)-1-(3-methylphenyl)sulfonylpiperidine-3-carboxylic acid
CID 42257645
(3S)-1-(4-fluorophenyl)sulfonylpyrrolidine-3-carboxylic acid
CID 93083334
(3R)-1-[4-(1-methyl-5-oxopyrrolidin-3-yl)phenyl]sulfonylpiperidine-3-carboxylic acid
CID 162659300
1-(4-chlorophenyl)sulfonyl-N-[(4-sulfamoylphenyl)methyl]piperidine-3-carboxamide
CID 43874836
1-(4-bromophenyl)sulfonyl-N-[(4-sulfamoylphenyl)methyl]piperidine-3-carboxamide
CID 43874859

Frequently Asked Questions

What is the IUPAC name of 1-(4-sulfamoylphenyl)sulfonylpiperidine-3-carboxylic acid?
The IUPAC name of 1-(4-sulfamoylphenyl)sulfonylpiperidine-3-carboxylic acid (CID 23607546) is 1-(4-sulfamoylphenyl)sulfonylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-(4-sulfamoylphenyl)sulfonylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-(4-sulfamoylphenyl)sulfonylpiperidine-3-carboxylic acid is NS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC(C(=O)O)C2)cc1.
What is the InChIKey of 1-(4-sulfamoylphenyl)sulfonylpiperidine-3-carboxylic acid?
The InChIKey is OKLXDZNYABUGCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O6S2/c13-21(17,18)10-3-5-11(6-4-10)22(19,20)14-7-1-2-9(8-14)12(15)16/h3-6,9H,1-2,7-8H2,(H,15,16)(H2,13,17,18).
What are the key properties of 1-(4-sulfamoylphenyl)sulfonylpiperidine-3-carboxylic acid?
1-(4-sulfamoylphenyl)sulfonylpiperidine-3-carboxylic acid has a molecular weight of 348.40 g/mol, XLogP of -0.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-sulfamoylphenyl)sulfonylpiperidine-3-carboxylic acid is sourced from PubChem (CID 23607546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).