1-phenyl-N-(2-phenylsulfanylethyl)methanesulfonamide

C15H17NO2S2 — CID 33038800

IUPAC1-phenyl-N-(2-phenylsulfanylethyl)methanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)NCCSc1ccccc1
InChIInChI=1S/C15H17NO2S2/c17-20(18,13-14-7-3-1-4-8-14)16-11-12-19-15-9-5-2-6-10-15/h1-10,16H,11-13H2
InChIKeyOXFDSFGYFZNIDO-UHFFFAOYSA-N
MW307.44 g/mol
LogP2.90
Rot. Bonds7

About 1-phenyl-N-(2-phenylsulfanylethyl)methanesulfonamide

1-phenyl-N-(2-phenylsulfanylethyl)methanesulfonamide (PubChem CID 33038800) has the molecular formula C15H17NO2S2 and a molecular weight of 307.44 g/mol. Its IUPAC name is 1-phenyl-N-(2-phenylsulfanylethyl)methanesulfonamide.

Molecular Properties

Compound Name1-phenyl-N-(2-phenylsulfanylethyl)methanesulfonamide
PubChem CID33038800
Molecular FormulaC15H17NO2S2
Molecular Weight307.44 g/mol
Exact Mass307.07
IUPAC Name1-phenyl-N-(2-phenylsulfanylethyl)methanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)NCCSc1ccccc1
InChIInChI=1S/C15H17NO2S2/c17-20(18,13-14-7-3-1-4-8-14)16-11-12-19-15-9-5-2-6-10-15/h1-10,16H,11-13H2
InChIKeyOXFDSFGYFZNIDO-UHFFFAOYSA-N
XLogP2.90
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-phenyl-N-(2-phenylsulfanylethyl)methanesulfonamide 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

N-[2-(3-hydroxypropylsulfanyl)ethyl]-1-phenylmethanesulfonamide
CID 113240021
N-(3,3-diphenylpropyl)-1-phenylmethanesulfonamide
CID 19680983
1-phenyl-N-phenylsulfanylmethanesulfonamide
CID 146422140
1-phenyl-N-(2-phenylmethoxyethyl)methanesulfonamide
CID 3764868
N-(3-bromopropyl)-1-phenylmethanesulfonamide
CID 43133750
N-(3-iodopropyl)-1-phenylmethanesulfonamide
CID 114504628
2-phenylsulfanyl-N-[2-[2-(2-phenylsulfanylethylamino)ethyldisulfanyl]ethyl]ethanamine
CID 6431756
N-(2-cyanoethyl)-1-phenylmethanesulfonamide
CID 3754480
N-[2-(2-aminoethoxy)ethyl]-1-phenylmethanesulfonamide
CID 63765237
N-(bromomethyl)-1-phenylmethanesulfonamide
CID 174927038
N-(3-phenylsulfanylpropyl)methanesulfonamide
CID 47108530
N-octadecyl-1-phenylmethanesulfonamide
CID 139636949

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-(2-phenylsulfanylethyl)methanesulfonamide?
The IUPAC name of 1-phenyl-N-(2-phenylsulfanylethyl)methanesulfonamide (CID 33038800) is 1-phenyl-N-(2-phenylsulfanylethyl)methanesulfonamide.
What is the SMILES notation for 1-phenyl-N-(2-phenylsulfanylethyl)methanesulfonamide?
The canonical SMILES for 1-phenyl-N-(2-phenylsulfanylethyl)methanesulfonamide is O=S(=O)(Cc1ccccc1)NCCSc1ccccc1.
What is the InChIKey of 1-phenyl-N-(2-phenylsulfanylethyl)methanesulfonamide?
The InChIKey is OXFDSFGYFZNIDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S2/c17-20(18,13-14-7-3-1-4-8-14)16-11-12-19-15-9-5-2-6-10-15/h1-10,16H,11-13H2.
What are the key properties of 1-phenyl-N-(2-phenylsulfanylethyl)methanesulfonamide?
1-phenyl-N-(2-phenylsulfanylethyl)methanesulfonamide has a molecular weight of 307.44 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-(2-phenylsulfanylethyl)methanesulfonamide is sourced from PubChem (CID 33038800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).