N-(2-hydroxy-5-methoxyphenyl)-4-methylpiperidine-1-sulfonamide

C13H20N2O4S — CID 102696009

IUPACN-(2-hydroxy-5-methoxyphenyl)-4-methylpiperidine-1-sulfonamide
SMILESCOc1ccc(O)c(NS(=O)(=O)N2CCC(C)CC2)c1
InChIInChI=1S/C13H20N2O4S/c1-10-5-7-15(8-6-10)20(17,18)14-12-9-11(19-2)3-4-13(12)16/h3-4,9-10,14,16H,5-8H2,1-2H3
InChIKeyPAWKEJJCHHDXDT-UHFFFAOYSA-N
MW300.38 g/mol
LogP1.79
Rot. Bonds4

About N-(2-hydroxy-5-methoxyphenyl)-4-methylpiperidine-1-sulfonamide

N-(2-hydroxy-5-methoxyphenyl)-4-methylpiperidine-1-sulfonamide (PubChem CID 102696009) has the molecular formula C13H20N2O4S and a molecular weight of 300.38 g/mol. Its IUPAC name is N-(2-hydroxy-5-methoxyphenyl)-4-methylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(2-hydroxy-5-methoxyphenyl)-4-methylpiperidine-1-sulfonamide
PubChem CID102696009
Molecular FormulaC13H20N2O4S
Molecular Weight300.38 g/mol
Exact Mass300.11
IUPAC NameN-(2-hydroxy-5-methoxyphenyl)-4-methylpiperidine-1-sulfonamide
SMILESCOc1ccc(O)c(NS(=O)(=O)N2CCC(C)CC2)c1
InChIInChI=1S/C13H20N2O4S/c1-10-5-7-15(8-6-10)20(17,18)14-12-9-11(19-2)3-4-13(12)16/h3-4,9-10,14,16H,5-8H2,1-2H3
InChIKeyPAWKEJJCHHDXDT-UHFFFAOYSA-N
XLogP1.79
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-(2-hydroxy-5-methoxyphenyl)pyrrolidine-1-sulfonamide
CID 103760192
N-(2-iodo-5-methoxyphenyl)azetidine-1-sulfonamide
CID 167940813
N-(2-amino-5-methoxyphenyl)piperidine-1-sulfonamide
CID 63258793
N-(2-bromo-5-methoxyphenyl)azepane-1-sulfonamide
CID 63997402
2-hydroxy-4-[(4-methylpiperidin-1-yl)sulfonylamino]benzoic acid
CID 29297612
N-(2-hydroxy-5-methylphenyl)pyrrolidine-1-sulfonamide
CID 54936857
N-(2,4-dimethoxyphenyl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 71904717
N-(2,5-dihydroxyphenyl)pyrrolidine-1-sulfonamide
CID 154467539
1-[4-(4-methoxyphenyl)phenyl]sulfonyl-4-methylpiperidine
CID 66486087
N-(5-amino-2-methylphenyl)-4-methylpiperidine-1-sulfonamide
CID 28783386
N-(2-amino-5-fluorophenyl)-4-methylpiperidine-1-sulfonamide
CID 63257526
N-(2-amino-4-methoxyphenyl)azepane-1-sulfonamide
CID 28783253

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-5-methoxyphenyl)-4-methylpiperidine-1-sulfonamide?
The IUPAC name of N-(2-hydroxy-5-methoxyphenyl)-4-methylpiperidine-1-sulfonamide (CID 102696009) is N-(2-hydroxy-5-methoxyphenyl)-4-methylpiperidine-1-sulfonamide.
What is the SMILES notation for N-(2-hydroxy-5-methoxyphenyl)-4-methylpiperidine-1-sulfonamide?
The canonical SMILES for N-(2-hydroxy-5-methoxyphenyl)-4-methylpiperidine-1-sulfonamide is COc1ccc(O)c(NS(=O)(=O)N2CCC(C)CC2)c1.
What is the InChIKey of N-(2-hydroxy-5-methoxyphenyl)-4-methylpiperidine-1-sulfonamide?
The InChIKey is PAWKEJJCHHDXDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S/c1-10-5-7-15(8-6-10)20(17,18)14-12-9-11(19-2)3-4-13(12)16/h3-4,9-10,14,16H,5-8H2,1-2H3.
What are the key properties of N-(2-hydroxy-5-methoxyphenyl)-4-methylpiperidine-1-sulfonamide?
N-(2-hydroxy-5-methoxyphenyl)-4-methylpiperidine-1-sulfonamide has a molecular weight of 300.38 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-5-methoxyphenyl)-4-methylpiperidine-1-sulfonamide is sourced from PubChem (CID 102696009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).