N-(3-hydroxy-3-thiophen-3-ylpropyl)-2-phenylethanesulfonamide

C15H19NO3S2 — CID 86264127

IUPACN-(3-hydroxy-3-thiophen-3-ylpropyl)-2-phenylethanesulfonamide
SMILESO=S(=O)(CCc1ccccc1)NCCC(O)c1ccsc1
InChIInChI=1S/C15H19NO3S2/c17-15(14-7-10-20-12-14)6-9-16-21(18,19)11-8-13-4-2-1-3-5-13/h1-5,7,10,12,15-17H,6,8-9,11H2
InChIKeyVAFWZYZORPNMAC-UHFFFAOYSA-N
MW325.45 g/mol
LogP2.33
Rot. Bonds8

About N-(3-hydroxy-3-thiophen-3-ylpropyl)-2-phenylethanesulfonamide

N-(3-hydroxy-3-thiophen-3-ylpropyl)-2-phenylethanesulfonamide (PubChem CID 86264127) has the molecular formula C15H19NO3S2 and a molecular weight of 325.45 g/mol. Its IUPAC name is N-(3-hydroxy-3-thiophen-3-ylpropyl)-2-phenylethanesulfonamide.

Molecular Properties

Compound NameN-(3-hydroxy-3-thiophen-3-ylpropyl)-2-phenylethanesulfonamide
PubChem CID86264127
Molecular FormulaC15H19NO3S2
Molecular Weight325.45 g/mol
Exact Mass325.08
IUPAC NameN-(3-hydroxy-3-thiophen-3-ylpropyl)-2-phenylethanesulfonamide
SMILESO=S(=O)(CCc1ccccc1)NCCC(O)c1ccsc1
InChIInChI=1S/C15H19NO3S2/c17-15(14-7-10-20-12-14)6-9-16-21(18,19)11-8-13-4-2-1-3-5-13/h1-5,7,10,12,15-17H,6,8-9,11H2
InChIKeyVAFWZYZORPNMAC-UHFFFAOYSA-N
XLogP2.33
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(3-hydroxy-3-thiophen-3-ylpropyl)-2-phenylethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-3-thiophen-3-ylpropyl)-2-phenylethanesulfonamide?
The IUPAC name of N-(3-hydroxy-3-thiophen-3-ylpropyl)-2-phenylethanesulfonamide (CID 86264127) is N-(3-hydroxy-3-thiophen-3-ylpropyl)-2-phenylethanesulfonamide.
What is the SMILES notation for N-(3-hydroxy-3-thiophen-3-ylpropyl)-2-phenylethanesulfonamide?
The canonical SMILES for N-(3-hydroxy-3-thiophen-3-ylpropyl)-2-phenylethanesulfonamide is O=S(=O)(CCc1ccccc1)NCCC(O)c1ccsc1.
What is the InChIKey of N-(3-hydroxy-3-thiophen-3-ylpropyl)-2-phenylethanesulfonamide?
The InChIKey is VAFWZYZORPNMAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3S2/c17-15(14-7-10-20-12-14)6-9-16-21(18,19)11-8-13-4-2-1-3-5-13/h1-5,7,10,12,15-17H,6,8-9,11H2.
What are the key properties of N-(3-hydroxy-3-thiophen-3-ylpropyl)-2-phenylethanesulfonamide?
N-(3-hydroxy-3-thiophen-3-ylpropyl)-2-phenylethanesulfonamide has a molecular weight of 325.45 g/mol, XLogP of 2.33, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-3-thiophen-3-ylpropyl)-2-phenylethanesulfonamide is sourced from PubChem (CID 86264127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).