N-(2-methylsulfanylethyl)naphthalene-1-sulfonamide

C13H15NO2S2 — CID 115684023

IUPACN-(2-methylsulfanylethyl)naphthalene-1-sulfonamide
SMILESCSCCNS(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C13H15NO2S2/c1-17-10-9-14-18(15,16)13-8-4-6-11-5-2-3-7-12(11)13/h2-8,14H,9-10H2,1H3
InChIKeyNWHDTTXFRWEFRK-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.48
Rot. Bonds5

About N-(2-methylsulfanylethyl)naphthalene-1-sulfonamide

N-(2-methylsulfanylethyl)naphthalene-1-sulfonamide (PubChem CID 115684023) has the molecular formula C13H15NO2S2 and a molecular weight of 281.40 g/mol. Its IUPAC name is N-(2-methylsulfanylethyl)naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-(2-methylsulfanylethyl)naphthalene-1-sulfonamide
PubChem CID115684023
Molecular FormulaC13H15NO2S2
Molecular Weight281.40 g/mol
Exact Mass281.05
IUPAC NameN-(2-methylsulfanylethyl)naphthalene-1-sulfonamide
SMILESCSCCNS(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C13H15NO2S2/c1-17-10-9-14-18(15,16)13-8-4-6-11-5-2-3-7-12(11)13/h2-8,14H,9-10H2,1H3
InChIKeyNWHDTTXFRWEFRK-UHFFFAOYSA-N
XLogP2.48
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(2-methylsulfanylethyl)naphthalene-1-sulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

2-amino-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 63982430
N-(4-methylpentyl)naphthalene-1-sulfonamide
CID 114795811
N-[2-[(R)-methylsulfinyl]ethyl]naphthalene-1-sulfonamide
CID 97001306
N-(3-methylbutyl)naphthalene-1-sulfonamide
CID 115684014
N-(5-chloropentyl)naphthalene-1-sulfonamide
CID 107322709
N-(methylaminomethyl)naphthalene-1-sulfonamide
CID 173069898
N-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]naphthalene-1-sulfonamide
CID 3513225
N-(2-ethylsulfinylethyl)naphthalene-1-sulfonamide
CID 115684173
N-(3-chlorobutyl)naphthalene-1-sulfonamide
CID 114795632
N-but-3-ynylnaphthalene-1-sulfonamide
CID 115684178
N-(3,3,3-trifluoropropyl)naphthalene-1-sulfonamide
CID 115684216
N-[2-(naphthalen-1-ylsulfonylamino)ethyl]propanamide
CID 170551201

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfanylethyl)naphthalene-1-sulfonamide?
The IUPAC name of N-(2-methylsulfanylethyl)naphthalene-1-sulfonamide (CID 115684023) is N-(2-methylsulfanylethyl)naphthalene-1-sulfonamide.
What is the SMILES notation for N-(2-methylsulfanylethyl)naphthalene-1-sulfonamide?
The canonical SMILES for N-(2-methylsulfanylethyl)naphthalene-1-sulfonamide is CSCCNS(=O)(=O)c1cccc2ccccc12.
What is the InChIKey of N-(2-methylsulfanylethyl)naphthalene-1-sulfonamide?
The InChIKey is NWHDTTXFRWEFRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2S2/c1-17-10-9-14-18(15,16)13-8-4-6-11-5-2-3-7-12(11)13/h2-8,14H,9-10H2,1H3.
What are the key properties of N-(2-methylsulfanylethyl)naphthalene-1-sulfonamide?
N-(2-methylsulfanylethyl)naphthalene-1-sulfonamide has a molecular weight of 281.40 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfanylethyl)naphthalene-1-sulfonamide is sourced from PubChem (CID 115684023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).