N-(1-ethylpiperidin-3-yl)-2-hydroxybenzenesulfonamide

C13H20N2O3S — CID 81242229

IUPACN-(1-ethylpiperidin-3-yl)-2-hydroxybenzenesulfonamide
SMILESCCN1CCCC(NS(=O)(=O)c2ccccc2O)C1
InChIInChI=1S/C13H20N2O3S/c1-2-15-9-5-6-11(10-15)14-19(17,18)13-8-4-3-7-12(13)16/h3-4,7-8,11,14,16H,2,5-6,9-10H2,1H3
InChIKeyQAVCCTJCCLCDEF-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.15
Rot. Bonds4

About N-(1-ethylpiperidin-3-yl)-2-hydroxybenzenesulfonamide

N-(1-ethylpiperidin-3-yl)-2-hydroxybenzenesulfonamide (PubChem CID 81242229) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is N-(1-ethylpiperidin-3-yl)-2-hydroxybenzenesulfonamide.

Molecular Properties

Compound NameN-(1-ethylpiperidin-3-yl)-2-hydroxybenzenesulfonamide
PubChem CID81242229
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC NameN-(1-ethylpiperidin-3-yl)-2-hydroxybenzenesulfonamide
SMILESCCN1CCCC(NS(=O)(=O)c2ccccc2O)C1
InChIInChI=1S/C13H20N2O3S/c1-2-15-9-5-6-11(10-15)14-19(17,18)13-8-4-3-7-12(13)16/h3-4,7-8,11,14,16H,2,5-6,9-10H2,1H3
InChIKeyQAVCCTJCCLCDEF-UHFFFAOYSA-N
XLogP1.15
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-ethylpiperidin-3-yl)-4-hydroxybenzenesulfonamide
CID 61478239
ethane;N-(1-ethylpiperidin-3-yl)benzenesulfonamide;molecular hydrogen
CID 162749983
N-[(3S)-1-ethylpiperidin-3-yl]naphthalene-2-sulfonamide
CID 52534323
4-amino-N-(1-ethylpiperidin-3-yl)-2-methylbenzenesulfonamide
CID 61169182
5-bromo-N-(1-ethylpiperidin-3-yl)-2-methylbenzenesulfonamide
CID 61170995
5-bromo-4-[(1-ethylpiperidin-3-yl)sulfamoyl]furan-2-carboxylic acid
CID 62829355
3-bromo-N-(1-ethylpiperidin-3-yl)benzenesulfonamide
CID 47350084
N-[(3R)-1-ethylpiperidin-3-yl]-4-propan-2-ylbenzenesulfonamide
CID 52534305
4-(aminomethyl)-N-(1-ethylpiperidin-3-yl)benzenesulfonamide
CID 61476754
3-amino-N-(1-ethylpiperidin-3-yl)pyridine-2-sulfonamide
CID 103305213
N-(1-ethylpiperidin-3-yl)-3-(methylamino)pyridine-2-sulfonamide
CID 103305212
2-chloro-5-cyano-N-(1-ethylpiperidin-3-yl)benzenesulfonamide
CID 80697990

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpiperidin-3-yl)-2-hydroxybenzenesulfonamide?
The IUPAC name of N-(1-ethylpiperidin-3-yl)-2-hydroxybenzenesulfonamide (CID 81242229) is N-(1-ethylpiperidin-3-yl)-2-hydroxybenzenesulfonamide.
What is the SMILES notation for N-(1-ethylpiperidin-3-yl)-2-hydroxybenzenesulfonamide?
The canonical SMILES for N-(1-ethylpiperidin-3-yl)-2-hydroxybenzenesulfonamide is CCN1CCCC(NS(=O)(=O)c2ccccc2O)C1.
What is the InChIKey of N-(1-ethylpiperidin-3-yl)-2-hydroxybenzenesulfonamide?
The InChIKey is QAVCCTJCCLCDEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-2-15-9-5-6-11(10-15)14-19(17,18)13-8-4-3-7-12(13)16/h3-4,7-8,11,14,16H,2,5-6,9-10H2,1H3.
What are the key properties of N-(1-ethylpiperidin-3-yl)-2-hydroxybenzenesulfonamide?
N-(1-ethylpiperidin-3-yl)-2-hydroxybenzenesulfonamide has a molecular weight of 284.38 g/mol, XLogP of 1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpiperidin-3-yl)-2-hydroxybenzenesulfonamide is sourced from PubChem (CID 81242229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).