N-(1-ethylpiperidin-3-yl)-4-hydroxybenzenesulfonamide

C13H20N2O3S — CID 61478239

IUPACN-(1-ethylpiperidin-3-yl)-4-hydroxybenzenesulfonamide
SMILESCCN1CCCC(NS(=O)(=O)c2ccc(O)cc2)C1
InChIInChI=1S/C13H20N2O3S/c1-2-15-9-3-4-11(10-15)14-19(17,18)13-7-5-12(16)6-8-13/h5-8,11,14,16H,2-4,9-10H2,1H3
InChIKeyMYRSOBJSWPVHSC-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.15
Rot. Bonds4

About N-(1-ethylpiperidin-3-yl)-4-hydroxybenzenesulfonamide

N-(1-ethylpiperidin-3-yl)-4-hydroxybenzenesulfonamide (PubChem CID 61478239) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is N-(1-ethylpiperidin-3-yl)-4-hydroxybenzenesulfonamide.

Molecular Properties

Compound NameN-(1-ethylpiperidin-3-yl)-4-hydroxybenzenesulfonamide
PubChem CID61478239
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC NameN-(1-ethylpiperidin-3-yl)-4-hydroxybenzenesulfonamide
SMILESCCN1CCCC(NS(=O)(=O)c2ccc(O)cc2)C1
InChIInChI=1S/C13H20N2O3S/c1-2-15-9-3-4-11(10-15)14-19(17,18)13-7-5-12(16)6-8-13/h5-8,11,14,16H,2-4,9-10H2,1H3
InChIKeyMYRSOBJSWPVHSC-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-[(3R)-1-ethylpiperidin-3-yl]-4-propan-2-ylbenzenesulfonamide
CID 52534305
4-(aminomethyl)-N-(1-ethylpiperidin-3-yl)benzenesulfonamide
CID 61476754
ethane;N-(1-ethylpiperidin-3-yl)benzenesulfonamide;molecular hydrogen
CID 162749983
N-(1-ethylpiperidin-3-yl)-2-hydroxybenzenesulfonamide
CID 81242229
N-[(3S)-1-ethylpiperidin-3-yl]naphthalene-2-sulfonamide
CID 52534323
1-[4-(cyclopentylsulfamoyl)phenyl]-3-(1-ethylpiperidin-3-yl)urea
CID 119045061
3-bromo-N-(1-ethylpiperidin-3-yl)benzenesulfonamide
CID 47350084
4-amino-N-(1-ethylpiperidin-3-yl)-3-methoxybenzenesulfonamide
CID 81440822
2-[4-[(1-ethylpyrrolidin-3-yl)sulfamoyl]phenoxy]acetic acid
CID 167982876
3-amino-N-(1-ethylpiperidin-3-yl)-5-methylbenzenesulfonamide
CID 61171917
1-ethyl-N-(4-ethylsulfonylphenyl)piperidin-3-amine
CID 61170389
4-amino-N-(1-ethylpiperidin-3-yl)-2-methylbenzenesulfonamide
CID 61169182

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpiperidin-3-yl)-4-hydroxybenzenesulfonamide?
The IUPAC name of N-(1-ethylpiperidin-3-yl)-4-hydroxybenzenesulfonamide (CID 61478239) is N-(1-ethylpiperidin-3-yl)-4-hydroxybenzenesulfonamide.
What is the SMILES notation for N-(1-ethylpiperidin-3-yl)-4-hydroxybenzenesulfonamide?
The canonical SMILES for N-(1-ethylpiperidin-3-yl)-4-hydroxybenzenesulfonamide is CCN1CCCC(NS(=O)(=O)c2ccc(O)cc2)C1.
What is the InChIKey of N-(1-ethylpiperidin-3-yl)-4-hydroxybenzenesulfonamide?
The InChIKey is MYRSOBJSWPVHSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-2-15-9-3-4-11(10-15)14-19(17,18)13-7-5-12(16)6-8-13/h5-8,11,14,16H,2-4,9-10H2,1H3.
What are the key properties of N-(1-ethylpiperidin-3-yl)-4-hydroxybenzenesulfonamide?
N-(1-ethylpiperidin-3-yl)-4-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)-4-hydroxybenzenesulfonamide is sourced from PubChem (CID 61478239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).