4-[(4-methylpiperidin-1-yl)sulfonylamino]benzoic acid

C13H18N2O4S — CID 28784299

IUPAC4-[(4-methylpiperidin-1-yl)sulfonylamino]benzoic acid
SMILESCC1CCN(S(=O)(=O)Nc2ccc(C(=O)O)cc2)CC1
InChIInChI=1S/C13H18N2O4S/c1-10-6-8-15(9-7-10)20(18,19)14-12-4-2-11(3-5-12)13(16)17/h2-5,10,14H,6-9H2,1H3,(H,16,17)
InChIKeyWUYVLKPRVDTCPZ-UHFFFAOYSA-N
MW298.36 g/mol
LogP1.77
Rot. Bonds4

About 4-[(4-methylpiperidin-1-yl)sulfonylamino]benzoic acid

4-[(4-methylpiperidin-1-yl)sulfonylamino]benzoic acid (PubChem CID 28784299) has the molecular formula C13H18N2O4S and a molecular weight of 298.36 g/mol. Its IUPAC name is 4-[(4-methylpiperidin-1-yl)sulfonylamino]benzoic acid.

Molecular Properties

Compound Name4-[(4-methylpiperidin-1-yl)sulfonylamino]benzoic acid
PubChem CID28784299
Molecular FormulaC13H18N2O4S
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC Name4-[(4-methylpiperidin-1-yl)sulfonylamino]benzoic acid
SMILESCC1CCN(S(=O)(=O)Nc2ccc(C(=O)O)cc2)CC1
InChIInChI=1S/C13H18N2O4S/c1-10-6-8-15(9-7-10)20(18,19)14-12-4-2-11(3-5-12)13(16)17/h2-5,10,14H,6-9H2,1H3,(H,16,17)
InChIKeyWUYVLKPRVDTCPZ-UHFFFAOYSA-N
XLogP1.77
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 ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-iodophenyl)-4-methylpiperidine-1-sulfonamide
CID 61400325
2-hydroxy-4-[(4-methylpiperidin-1-yl)sulfonylamino]benzoic acid
CID 29297612
2-bromo-5-[(4-methylpiperidin-1-yl)sulfonylamino]benzoic acid
CID 115295978
4-methyl-N-[4-[1-(methylamino)ethyl]phenyl]piperidine-1-sulfonamide
CID 43508068
4-[[4-(4-methylpiperidin-1-yl)phenyl]sulfamoyl]benzoic acid
CID 25358953
2-[5-[(4-methylpiperidin-1-yl)sulfonylamino]-2-pyridinyl]acetic acid
CID 107339881
1,4-dimethylcyclohexane;terephthalic acid
CID 66647934
1-[(4-chlorophenyl)sulfamoyl]piperidine-4-carboxylic acid
CID 60858072
N-(3-amino-4-ethylphenyl)-4-methylpiperidine-1-sulfonamide
CID 43551097
4-[[[(3R)-3-methylpyrrolidin-1-yl]sulfonylamino]methyl]benzoic acid
CID 129466996
N-[3-(1-hydroxyethyl)phenyl]-4-methylpiperidine-1-sulfonamide
CID 43508625
N-[3-(aminomethyl)-4-fluorophenyl]-4-methylpiperidine-1-sulfonamide
CID 62316606

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methylpiperidin-1-yl)sulfonylamino]benzoic acid?
The IUPAC name of 4-[(4-methylpiperidin-1-yl)sulfonylamino]benzoic acid (CID 28784299) is 4-[(4-methylpiperidin-1-yl)sulfonylamino]benzoic acid.
What is the SMILES notation for 4-[(4-methylpiperidin-1-yl)sulfonylamino]benzoic acid?
The canonical SMILES for 4-[(4-methylpiperidin-1-yl)sulfonylamino]benzoic acid is CC1CCN(S(=O)(=O)Nc2ccc(C(=O)O)cc2)CC1.
What is the InChIKey of 4-[(4-methylpiperidin-1-yl)sulfonylamino]benzoic acid?
The InChIKey is WUYVLKPRVDTCPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4S/c1-10-6-8-15(9-7-10)20(18,19)14-12-4-2-11(3-5-12)13(16)17/h2-5,10,14H,6-9H2,1H3,(H,16,17).
What are the key properties of 4-[(4-methylpiperidin-1-yl)sulfonylamino]benzoic acid?
4-[(4-methylpiperidin-1-yl)sulfonylamino]benzoic acid has a molecular weight of 298.36 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methylpiperidin-1-yl)sulfonylamino]benzoic acid is sourced from PubChem (CID 28784299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).