N-(2-hydroxy-3-phenylpropyl)propane-1-sulfonamide

C12H19NO3S — CID 56794310

IUPACN-(2-hydroxy-3-phenylpropyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCC(O)Cc1ccccc1
InChIInChI=1S/C12H19NO3S/c1-2-8-17(15,16)13-10-12(14)9-11-6-4-3-5-7-11/h3-7,12-14H,2,8-10H2,1H3
InChIKeyQAFDOWMWFGYIFS-UHFFFAOYSA-N
MW257.35 g/mol
LogP0.92
Rot. Bonds7

About N-(2-hydroxy-3-phenylpropyl)propane-1-sulfonamide

N-(2-hydroxy-3-phenylpropyl)propane-1-sulfonamide (PubChem CID 56794310) has the molecular formula C12H19NO3S and a molecular weight of 257.35 g/mol. Its IUPAC name is N-(2-hydroxy-3-phenylpropyl)propane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-hydroxy-3-phenylpropyl)propane-1-sulfonamide
PubChem CID56794310
Molecular FormulaC12H19NO3S
Molecular Weight257.35 g/mol
Exact Mass257.11
IUPAC NameN-(2-hydroxy-3-phenylpropyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCC(O)Cc1ccccc1
InChIInChI=1S/C12H19NO3S/c1-2-8-17(15,16)13-10-12(14)9-11-6-4-3-5-7-11/h3-7,12-14H,2,8-10H2,1H3
InChIKeyQAFDOWMWFGYIFS-UHFFFAOYSA-N
XLogP0.92
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-3-phenylpropyl)propane-1-sulfonamide?
The IUPAC name of N-(2-hydroxy-3-phenylpropyl)propane-1-sulfonamide (CID 56794310) is N-(2-hydroxy-3-phenylpropyl)propane-1-sulfonamide.
What is the SMILES notation for N-(2-hydroxy-3-phenylpropyl)propane-1-sulfonamide?
The canonical SMILES for N-(2-hydroxy-3-phenylpropyl)propane-1-sulfonamide is CCCS(=O)(=O)NCC(O)Cc1ccccc1.
What is the InChIKey of N-(2-hydroxy-3-phenylpropyl)propane-1-sulfonamide?
The InChIKey is QAFDOWMWFGYIFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3S/c1-2-8-17(15,16)13-10-12(14)9-11-6-4-3-5-7-11/h3-7,12-14H,2,8-10H2,1H3.
What are the key properties of N-(2-hydroxy-3-phenylpropyl)propane-1-sulfonamide?
N-(2-hydroxy-3-phenylpropyl)propane-1-sulfonamide has a molecular weight of 257.35 g/mol, XLogP of 0.92, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-3-phenylpropyl)propane-1-sulfonamide is sourced from PubChem (CID 56794310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).