2-[(2-methylpiperidin-1-yl)sulfonylamino]benzoic acid

C13H18N2O4S — CID 43210819

IUPAC2-[(2-methylpiperidin-1-yl)sulfonylamino]benzoic acid
SMILESCC1CCCCN1S(=O)(=O)Nc1ccccc1C(=O)O
InChIInChI=1S/C13H18N2O4S/c1-10-6-4-5-9-15(10)20(18,19)14-12-8-3-2-7-11(12)13(16)17/h2-3,7-8,10,14H,4-6,9H2,1H3,(H,16,17)
InChIKeyGPYVBGPYDDAOCG-UHFFFAOYSA-N
MW298.36 g/mol
LogP1.92
Rot. Bonds4

About 2-[(2-methylpiperidin-1-yl)sulfonylamino]benzoic acid

2-[(2-methylpiperidin-1-yl)sulfonylamino]benzoic acid (PubChem CID 43210819) has the molecular formula C13H18N2O4S and a molecular weight of 298.36 g/mol. Its IUPAC name is 2-[(2-methylpiperidin-1-yl)sulfonylamino]benzoic acid.

Molecular Properties

Compound Name2-[(2-methylpiperidin-1-yl)sulfonylamino]benzoic acid
PubChem CID43210819
Molecular FormulaC13H18N2O4S
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC Name2-[(2-methylpiperidin-1-yl)sulfonylamino]benzoic acid
SMILESCC1CCCCN1S(=O)(=O)Nc1ccccc1C(=O)O
InChIInChI=1S/C13H18N2O4S/c1-10-6-4-5-9-15(10)20(18,19)14-12-8-3-2-7-11(12)13(16)17/h2-3,7-8,10,14H,4-6,9H2,1H3,(H,16,17)
InChIKeyGPYVBGPYDDAOCG-UHFFFAOYSA-N
XLogP1.92
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-2-[(2-methylpiperidin-1-yl)sulfonylamino]benzoic acid
CID 43107263
2-chloro-5-[(2-methylpiperidin-1-yl)sulfonylamino]benzoic acid
CID 60862727
6-[(2-methylpiperidin-1-yl)sulfonylamino]pyridine-2-carboxylic acid
CID 63641694
N-[2-(3-aminoprop-1-ynyl)phenyl]-2-methylpiperidine-1-sulfonamide
CID 60814619
2-methyl-N-phenacylpiperidine-1-sulfonamide
CID 64994247
N-(2-amino-5-methylphenyl)-2-methylpiperidine-1-sulfonamide
CID 112557464
2-methyl-N-(1,2,3,4-tetrahydroquinolin-5-yl)piperidine-1-sulfonamide
CID 43093895
N-(4-amino-2-bromophenyl)-2-methylpiperidine-1-sulfonamide
CID 43550872
4-[(2-methylpiperidin-1-yl)sulfonylamino]pyridine-2-carboxylic acid
CID 63651770
N-(2-chloro-4-iodophenyl)-2-methylpiperidine-1-sulfonamide
CID 107606867
N-(4-bromo-2-fluorophenyl)-2-methylpiperidine-1-sulfonamide
CID 43096857
N-(3-amino-4-pyridinyl)-2-methylpiperidine-1-sulfonamide
CID 63063634

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpiperidin-1-yl)sulfonylamino]benzoic acid?
The IUPAC name of 2-[(2-methylpiperidin-1-yl)sulfonylamino]benzoic acid (CID 43210819) is 2-[(2-methylpiperidin-1-yl)sulfonylamino]benzoic acid.
What is the SMILES notation for 2-[(2-methylpiperidin-1-yl)sulfonylamino]benzoic acid?
The canonical SMILES for 2-[(2-methylpiperidin-1-yl)sulfonylamino]benzoic acid is CC1CCCCN1S(=O)(=O)Nc1ccccc1C(=O)O.
What is the InChIKey of 2-[(2-methylpiperidin-1-yl)sulfonylamino]benzoic acid?
The InChIKey is GPYVBGPYDDAOCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4S/c1-10-6-4-5-9-15(10)20(18,19)14-12-8-3-2-7-11(12)13(16)17/h2-3,7-8,10,14H,4-6,9H2,1H3,(H,16,17).
What are the key properties of 2-[(2-methylpiperidin-1-yl)sulfonylamino]benzoic acid?
2-[(2-methylpiperidin-1-yl)sulfonylamino]benzoic acid has a molecular weight of 298.36 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpiperidin-1-yl)sulfonylamino]benzoic acid is sourced from PubChem (CID 43210819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).