N-(2-hydroxy-3-phenylpropyl)-1-(3-methylphenyl)methanesulfonamide

C17H21NO3S — CID 56765290

IUPACN-(2-hydroxy-3-phenylpropyl)-1-(3-methylphenyl)methanesulfonamide
SMILESCc1cccc(CS(=O)(=O)NCC(O)Cc2ccccc2)c1
InChIInChI=1S/C17H21NO3S/c1-14-6-5-9-16(10-14)13-22(20,21)18-12-17(19)11-15-7-3-2-4-8-15/h2-10,17-19H,11-13H2,1H3
InChIKeySGSZYLFZKYYSBZ-UHFFFAOYSA-N
MW319.43 g/mol
LogP2.02
Rot. Bonds7

About N-(2-hydroxy-3-phenylpropyl)-1-(3-methylphenyl)methanesulfonamide

N-(2-hydroxy-3-phenylpropyl)-1-(3-methylphenyl)methanesulfonamide (PubChem CID 56765290) has the molecular formula C17H21NO3S and a molecular weight of 319.43 g/mol. Its IUPAC name is N-(2-hydroxy-3-phenylpropyl)-1-(3-methylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-hydroxy-3-phenylpropyl)-1-(3-methylphenyl)methanesulfonamide
PubChem CID56765290
Molecular FormulaC17H21NO3S
Molecular Weight319.43 g/mol
Exact Mass319.12
IUPAC NameN-(2-hydroxy-3-phenylpropyl)-1-(3-methylphenyl)methanesulfonamide
SMILESCc1cccc(CS(=O)(=O)NCC(O)Cc2ccccc2)c1
InChIInChI=1S/C17H21NO3S/c1-14-6-5-9-16(10-14)13-22(20,21)18-12-17(19)11-15-7-3-2-4-8-15/h2-10,17-19H,11-13H2,1H3
InChIKeySGSZYLFZKYYSBZ-UHFFFAOYSA-N
XLogP2.02
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(2-hydroxy-3-phenylpropyl)-1-(3-methylphenyl)methanesulfonamide 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-(2-hydroxy-3-phenylpropyl)-1-(3-methylphenyl)methanesulfonamide?
The IUPAC name of N-(2-hydroxy-3-phenylpropyl)-1-(3-methylphenyl)methanesulfonamide (CID 56765290) is N-(2-hydroxy-3-phenylpropyl)-1-(3-methylphenyl)methanesulfonamide.
What is the SMILES notation for N-(2-hydroxy-3-phenylpropyl)-1-(3-methylphenyl)methanesulfonamide?
The canonical SMILES for N-(2-hydroxy-3-phenylpropyl)-1-(3-methylphenyl)methanesulfonamide is Cc1cccc(CS(=O)(=O)NCC(O)Cc2ccccc2)c1.
What is the InChIKey of N-(2-hydroxy-3-phenylpropyl)-1-(3-methylphenyl)methanesulfonamide?
The InChIKey is SGSZYLFZKYYSBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3S/c1-14-6-5-9-16(10-14)13-22(20,21)18-12-17(19)11-15-7-3-2-4-8-15/h2-10,17-19H,11-13H2,1H3.
What are the key properties of N-(2-hydroxy-3-phenylpropyl)-1-(3-methylphenyl)methanesulfonamide?
N-(2-hydroxy-3-phenylpropyl)-1-(3-methylphenyl)methanesulfonamide has a molecular weight of 319.43 g/mol, XLogP of 2.02, 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)-1-(3-methylphenyl)methanesulfonamide is sourced from PubChem (CID 56765290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).