N-(1-ethylpiperidin-4-yl)-2-hydroxy-N-methylbenzenesulfonamide

C14H22N2O3S — CID 81242168

IUPACN-(1-ethylpiperidin-4-yl)-2-hydroxy-N-methylbenzenesulfonamide
SMILESCCN1CCC(N(C)S(=O)(=O)c2ccccc2O)CC1
InChIInChI=1S/C14H22N2O3S/c1-3-16-10-8-12(9-11-16)15(2)20(18,19)14-7-5-4-6-13(14)17/h4-7,12,17H,3,8-11H2,1-2H3
InChIKeyQQDOJDONQWGKLQ-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.50
Rot. Bonds4

About N-(1-ethylpiperidin-4-yl)-2-hydroxy-N-methylbenzenesulfonamide

N-(1-ethylpiperidin-4-yl)-2-hydroxy-N-methylbenzenesulfonamide (PubChem CID 81242168) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is N-(1-ethylpiperidin-4-yl)-2-hydroxy-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1-ethylpiperidin-4-yl)-2-hydroxy-N-methylbenzenesulfonamide
PubChem CID81242168
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC NameN-(1-ethylpiperidin-4-yl)-2-hydroxy-N-methylbenzenesulfonamide
SMILESCCN1CCC(N(C)S(=O)(=O)c2ccccc2O)CC1
InChIInChI=1S/C14H22N2O3S/c1-3-16-10-8-12(9-11-16)15(2)20(18,19)14-7-5-4-6-13(14)17/h4-7,12,17H,3,8-11H2,1-2H3
InChIKeyQQDOJDONQWGKLQ-UHFFFAOYSA-N
XLogP1.50
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpiperidin-4-yl)-2-hydroxy-N-methylbenzenesulfonamide?
The IUPAC name of N-(1-ethylpiperidin-4-yl)-2-hydroxy-N-methylbenzenesulfonamide (CID 81242168) is N-(1-ethylpiperidin-4-yl)-2-hydroxy-N-methylbenzenesulfonamide.
What is the SMILES notation for N-(1-ethylpiperidin-4-yl)-2-hydroxy-N-methylbenzenesulfonamide?
The canonical SMILES for N-(1-ethylpiperidin-4-yl)-2-hydroxy-N-methylbenzenesulfonamide is CCN1CCC(N(C)S(=O)(=O)c2ccccc2O)CC1.
What is the InChIKey of N-(1-ethylpiperidin-4-yl)-2-hydroxy-N-methylbenzenesulfonamide?
The InChIKey is QQDOJDONQWGKLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-3-16-10-8-12(9-11-16)15(2)20(18,19)14-7-5-4-6-13(14)17/h4-7,12,17H,3,8-11H2,1-2H3.
What are the key properties of N-(1-ethylpiperidin-4-yl)-2-hydroxy-N-methylbenzenesulfonamide?
N-(1-ethylpiperidin-4-yl)-2-hydroxy-N-methylbenzenesulfonamide has a molecular weight of 298.41 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpiperidin-4-yl)-2-hydroxy-N-methylbenzenesulfonamide is sourced from PubChem (CID 81242168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).