N-[4-hydroxy-3-(piperidin-1-ylmethyl)phenyl]benzenesulfonamide

C18H22N2O3S — CID 655266

IUPACN-[4-hydroxy-3-(piperidin-1-ylmethyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(O)c(CN2CCCCC2)c1)c1ccccc1
InChIInChI=1S/C18H22N2O3S/c21-18-10-9-16(13-15(18)14-20-11-5-2-6-12-20)19-24(22,23)17-7-3-1-4-8-17/h1,3-4,7-10,13,19,21H,2,5-6,11-12,14H2
InChIKeyYSDWBGNWIWSVKO-UHFFFAOYSA-N
MW346.45 g/mol
LogP3.18
Rot. Bonds5

About N-[4-hydroxy-3-(piperidin-1-ylmethyl)phenyl]benzenesulfonamide

N-[4-hydroxy-3-(piperidin-1-ylmethyl)phenyl]benzenesulfonamide (PubChem CID 655266) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is N-[4-hydroxy-3-(piperidin-1-ylmethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[4-hydroxy-3-(piperidin-1-ylmethyl)phenyl]benzenesulfonamide
PubChem CID655266
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC NameN-[4-hydroxy-3-(piperidin-1-ylmethyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(O)c(CN2CCCCC2)c1)c1ccccc1
InChIInChI=1S/C18H22N2O3S/c21-18-10-9-16(13-15(18)14-20-11-5-2-6-12-20)19-24(22,23)17-7-3-1-4-8-17/h1,3-4,7-10,13,19,21H,2,5-6,11-12,14H2
InChIKeyYSDWBGNWIWSVKO-UHFFFAOYSA-N
XLogP3.18
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'sulfonamide_B(41)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-hydroxy-3-(piperidin-1-ylmethyl)phenyl]benzenesulfonamide?
The IUPAC name of N-[4-hydroxy-3-(piperidin-1-ylmethyl)phenyl]benzenesulfonamide (CID 655266) is N-[4-hydroxy-3-(piperidin-1-ylmethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for N-[4-hydroxy-3-(piperidin-1-ylmethyl)phenyl]benzenesulfonamide?
The canonical SMILES for N-[4-hydroxy-3-(piperidin-1-ylmethyl)phenyl]benzenesulfonamide is O=S(=O)(Nc1ccc(O)c(CN2CCCCC2)c1)c1ccccc1.
What is the InChIKey of N-[4-hydroxy-3-(piperidin-1-ylmethyl)phenyl]benzenesulfonamide?
The InChIKey is YSDWBGNWIWSVKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c21-18-10-9-16(13-15(18)14-20-11-5-2-6-12-20)19-24(22,23)17-7-3-1-4-8-17/h1,3-4,7-10,13,19,21H,2,5-6,11-12,14H2.
What are the key properties of N-[4-hydroxy-3-(piperidin-1-ylmethyl)phenyl]benzenesulfonamide?
N-[4-hydroxy-3-(piperidin-1-ylmethyl)phenyl]benzenesulfonamide has a molecular weight of 346.45 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-hydroxy-3-(piperidin-1-ylmethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 655266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).