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

C13H18N2O5S — CID 29297612

IUPAC2-hydroxy-4-[(4-methylpiperidin-1-yl)sulfonylamino]benzoic acid
SMILESCC1CCN(S(=O)(=O)Nc2ccc(C(=O)O)c(O)c2)CC1
InChIInChI=1S/C13H18N2O5S/c1-9-4-6-15(7-5-9)21(19,20)14-10-2-3-11(13(17)18)12(16)8-10/h2-3,8-9,14,16H,4-7H2,1H3,(H,17,18)
InChIKeyYYRXURBVFVHXKO-UHFFFAOYSA-N
MW314.36 g/mol
LogP1.48
Rot. Bonds4

About 2-hydroxy-4-[(4-methylpiperidin-1-yl)sulfonylamino]benzoic acid

2-hydroxy-4-[(4-methylpiperidin-1-yl)sulfonylamino]benzoic acid (PubChem CID 29297612) has the molecular formula C13H18N2O5S and a molecular weight of 314.36 g/mol. Its IUPAC name is 2-hydroxy-4-[(4-methylpiperidin-1-yl)sulfonylamino]benzoic acid.

Molecular Properties

Compound Name2-hydroxy-4-[(4-methylpiperidin-1-yl)sulfonylamino]benzoic acid
PubChem CID29297612
Molecular FormulaC13H18N2O5S
Molecular Weight314.36 g/mol
Exact Mass314.09
IUPAC Name2-hydroxy-4-[(4-methylpiperidin-1-yl)sulfonylamino]benzoic acid
SMILESCC1CCN(S(=O)(=O)Nc2ccc(C(=O)O)c(O)c2)CC1
InChIInChI=1S/C13H18N2O5S/c1-9-4-6-15(7-5-9)21(19,20)14-10-2-3-11(13(17)18)12(16)8-10/h2-3,8-9,14,16H,4-7H2,1H3,(H,17,18)
InChIKeyYYRXURBVFVHXKO-UHFFFAOYSA-N
XLogP1.48
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-5-[(4-methylpiperidin-1-yl)sulfonylamino]benzoic acid
CID 115295978
4-[(4-methylpiperidin-1-yl)sulfonylamino]benzoic acid
CID 28784299
N-(4-iodophenyl)-4-methylpiperidine-1-sulfonamide
CID 61400325
N-(3-amino-4-ethylphenyl)-4-methylpiperidine-1-sulfonamide
CID 43551097
4-(chlorosulfonylamino)-2-hydroxybenzoic acid
CID 175169108
N-[3-(1-hydroxyethyl)phenyl]-4-methylpiperidine-1-sulfonamide
CID 43508625
2-[5-[(4-methylpiperidin-1-yl)sulfonylamino]-2-pyridinyl]acetic acid
CID 107339881
N-[3-(aminomethyl)-4-fluorophenyl]-4-methylpiperidine-1-sulfonamide
CID 62316606
4-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)piperidine-1-sulfonamide
CID 63902333
2-chloro-4-(piperidin-1-ylsulfonylamino)benzoic acid
CID 61398444
4-methyl-N-[4-[1-(methylamino)ethyl]phenyl]piperidine-1-sulfonamide
CID 43508068
4-methyl-N-(1,2,3,4-tetrahydroquinolin-7-yl)piperidine-1-sulfonamide
CID 63930609

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-[(4-methylpiperidin-1-yl)sulfonylamino]benzoic acid?
The IUPAC name of 2-hydroxy-4-[(4-methylpiperidin-1-yl)sulfonylamino]benzoic acid (CID 29297612) is 2-hydroxy-4-[(4-methylpiperidin-1-yl)sulfonylamino]benzoic acid.
What is the SMILES notation for 2-hydroxy-4-[(4-methylpiperidin-1-yl)sulfonylamino]benzoic acid?
The canonical SMILES for 2-hydroxy-4-[(4-methylpiperidin-1-yl)sulfonylamino]benzoic acid is CC1CCN(S(=O)(=O)Nc2ccc(C(=O)O)c(O)c2)CC1.
What is the InChIKey of 2-hydroxy-4-[(4-methylpiperidin-1-yl)sulfonylamino]benzoic acid?
The InChIKey is YYRXURBVFVHXKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O5S/c1-9-4-6-15(7-5-9)21(19,20)14-10-2-3-11(13(17)18)12(16)8-10/h2-3,8-9,14,16H,4-7H2,1H3,(H,17,18).
What are the key properties of 2-hydroxy-4-[(4-methylpiperidin-1-yl)sulfonylamino]benzoic acid?
2-hydroxy-4-[(4-methylpiperidin-1-yl)sulfonylamino]benzoic acid has a molecular weight of 314.36 g/mol, XLogP of 1.48, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-[(4-methylpiperidin-1-yl)sulfonylamino]benzoic acid is sourced from PubChem (CID 29297612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).