N-(2-hydroxy-2-naphthalen-1-ylethyl)benzenesulfonamide

C18H17NO3S — CID 90497350

IUPACN-(2-hydroxy-2-naphthalen-1-ylethyl)benzenesulfonamide
SMILESO=S(=O)(NCC(O)c1cccc2ccccc12)c1ccccc1
InChIInChI=1S/C18H17NO3S/c20-18(13-19-23(21,22)15-9-2-1-3-10-15)17-12-6-8-14-7-4-5-11-16(14)17/h1-12,18-20H,13H2
InChIKeyOBDQWZXXTUKBGK-UHFFFAOYSA-N
MW327.41 g/mol
LogP2.85
Rot. Bonds5

About N-(2-hydroxy-2-naphthalen-1-ylethyl)benzenesulfonamide

N-(2-hydroxy-2-naphthalen-1-ylethyl)benzenesulfonamide (PubChem CID 90497350) has the molecular formula C18H17NO3S and a molecular weight of 327.41 g/mol. Its IUPAC name is N-(2-hydroxy-2-naphthalen-1-ylethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-naphthalen-1-ylethyl)benzenesulfonamide
PubChem CID90497350
Molecular FormulaC18H17NO3S
Molecular Weight327.41 g/mol
Exact Mass327.09
IUPAC NameN-(2-hydroxy-2-naphthalen-1-ylethyl)benzenesulfonamide
SMILESO=S(=O)(NCC(O)c1cccc2ccccc12)c1ccccc1
InChIInChI=1S/C18H17NO3S/c20-18(13-19-23(21,22)15-9-2-1-3-10-15)17-12-6-8-14-7-4-5-11-16(14)17/h1-12,18-20H,13H2
InChIKeyOBDQWZXXTUKBGK-UHFFFAOYSA-N
XLogP2.85
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(2-hydroxy-2-naphthalen-1-ylethyl)benzenesulfonamide 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-2-naphthalen-1-ylethyl)benzenesulfonamide?
The IUPAC name of N-(2-hydroxy-2-naphthalen-1-ylethyl)benzenesulfonamide (CID 90497350) is N-(2-hydroxy-2-naphthalen-1-ylethyl)benzenesulfonamide.
What is the SMILES notation for N-(2-hydroxy-2-naphthalen-1-ylethyl)benzenesulfonamide?
The canonical SMILES for N-(2-hydroxy-2-naphthalen-1-ylethyl)benzenesulfonamide is O=S(=O)(NCC(O)c1cccc2ccccc12)c1ccccc1.
What is the InChIKey of N-(2-hydroxy-2-naphthalen-1-ylethyl)benzenesulfonamide?
The InChIKey is OBDQWZXXTUKBGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3S/c20-18(13-19-23(21,22)15-9-2-1-3-10-15)17-12-6-8-14-7-4-5-11-16(14)17/h1-12,18-20H,13H2.
What are the key properties of N-(2-hydroxy-2-naphthalen-1-ylethyl)benzenesulfonamide?
N-(2-hydroxy-2-naphthalen-1-ylethyl)benzenesulfonamide has a molecular weight of 327.41 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-naphthalen-1-ylethyl)benzenesulfonamide is sourced from PubChem (CID 90497350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).