N-(2-hydroxy-3-phenylpropyl)pyridine-3-sulfonamide

C14H16N2O3S — CID 56765288

IUPACN-(2-hydroxy-3-phenylpropyl)pyridine-3-sulfonamide
SMILESO=S(=O)(NCC(O)Cc1ccccc1)c1cccnc1
InChIInChI=1S/C14H16N2O3S/c17-13(9-12-5-2-1-3-6-12)10-16-20(18,19)14-7-4-8-15-11-14/h1-8,11,13,16-17H,9-10H2
InChIKeyZWKLNPBWVVOCPT-UHFFFAOYSA-N
MW292.36 g/mol
LogP0.96
Rot. Bonds6

About N-(2-hydroxy-3-phenylpropyl)pyridine-3-sulfonamide

N-(2-hydroxy-3-phenylpropyl)pyridine-3-sulfonamide (PubChem CID 56765288) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is N-(2-hydroxy-3-phenylpropyl)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(2-hydroxy-3-phenylpropyl)pyridine-3-sulfonamide
PubChem CID56765288
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC NameN-(2-hydroxy-3-phenylpropyl)pyridine-3-sulfonamide
SMILESO=S(=O)(NCC(O)Cc1ccccc1)c1cccnc1
InChIInChI=1S/C14H16N2O3S/c17-13(9-12-5-2-1-3-6-12)10-16-20(18,19)14-7-4-8-15-11-14/h1-8,11,13,16-17H,9-10H2
InChIKeyZWKLNPBWVVOCPT-UHFFFAOYSA-N
XLogP0.96
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-3-phenylpropyl)pyridine-3-sulfonamide?
The IUPAC name of N-(2-hydroxy-3-phenylpropyl)pyridine-3-sulfonamide (CID 56765288) is N-(2-hydroxy-3-phenylpropyl)pyridine-3-sulfonamide.
What is the SMILES notation for N-(2-hydroxy-3-phenylpropyl)pyridine-3-sulfonamide?
The canonical SMILES for N-(2-hydroxy-3-phenylpropyl)pyridine-3-sulfonamide is O=S(=O)(NCC(O)Cc1ccccc1)c1cccnc1.
What is the InChIKey of N-(2-hydroxy-3-phenylpropyl)pyridine-3-sulfonamide?
The InChIKey is ZWKLNPBWVVOCPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c17-13(9-12-5-2-1-3-6-12)10-16-20(18,19)14-7-4-8-15-11-14/h1-8,11,13,16-17H,9-10H2.
What are the key properties of N-(2-hydroxy-3-phenylpropyl)pyridine-3-sulfonamide?
N-(2-hydroxy-3-phenylpropyl)pyridine-3-sulfonamide has a molecular weight of 292.36 g/mol, XLogP of 0.96, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-3-phenylpropyl)pyridine-3-sulfonamide is sourced from PubChem (CID 56765288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).