4-methylsulfanyl-N-(2-phenylethyl)benzenesulfonamide

C15H17NO2S2 — CID 961989

IUPAC4-methylsulfanyl-N-(2-phenylethyl)benzenesulfonamide
SMILESCSc1ccc(S(=O)(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C15H17NO2S2/c1-19-14-7-9-15(10-8-14)20(17,18)16-12-11-13-5-3-2-4-6-13/h2-10,16H,11-12H2,1H3
InChIKeyHVRBYDDSDSGHQV-UHFFFAOYSA-N
MW307.44 g/mol
LogP2.93
Rot. Bonds6

About 4-methylsulfanyl-N-(2-phenylethyl)benzenesulfonamide

4-methylsulfanyl-N-(2-phenylethyl)benzenesulfonamide (PubChem CID 961989) has the molecular formula C15H17NO2S2 and a molecular weight of 307.44 g/mol. Its IUPAC name is 4-methylsulfanyl-N-(2-phenylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methylsulfanyl-N-(2-phenylethyl)benzenesulfonamide
PubChem CID961989
Molecular FormulaC15H17NO2S2
Molecular Weight307.44 g/mol
Exact Mass307.07
IUPAC Name4-methylsulfanyl-N-(2-phenylethyl)benzenesulfonamide
SMILESCSc1ccc(S(=O)(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C15H17NO2S2/c1-19-14-7-9-15(10-8-14)20(17,18)16-12-11-13-5-3-2-4-6-13/h2-10,16H,11-12H2,1H3
InChIKeyHVRBYDDSDSGHQV-UHFFFAOYSA-N
XLogP2.93
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-methylsulfanylphenyl)ethyl]-2-[4-(2-phenylethylsulfamoyl)phenoxy]acetamide
CID 43873186
4-(benzenesulfonamido)-N-(2-phenylethyl)benzenesulfonamide
CID 5222462
4-hydrazinyl-N-(2-phenylethyl)benzenesulfonamide
CID 43454992
4-nitro-N-(2-phenylethyl)benzenesulfonamide
CID 682201
4-fluoro-3-methyl-N-(2-phenylethyl)benzenesulfonamide
CID 7314460
acetonitrile;4-chloro-N-(2-phenylethyl)benzenesulfonamide;hydrate
CID 174293454
4-[2-(benzylsulfonylamino)ethyl]-N-ethylbenzenesulfonamide
CID 112507244
3-chloro-4-methyl-N-(2-phenylethyl)benzenesulfonamide
CID 3482248
N-(2-tert-butylsulfanylethyl)-4-methylsulfanylbenzenesulfonamide
CID 2231398
4-fluoro-N-(4-phenylbutyl)benzenesulfonamide
CID 3765011
4-amino-3-fluoro-N-(2-phenylethyl)benzenesulfonamide
CID 82844764
4-methylsulfanyl-N-[2-(2-phenylphenoxy)ethyl]benzenesulfonamide
CID 2216743

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanyl-N-(2-phenylethyl)benzenesulfonamide?
The IUPAC name of 4-methylsulfanyl-N-(2-phenylethyl)benzenesulfonamide (CID 961989) is 4-methylsulfanyl-N-(2-phenylethyl)benzenesulfonamide.
What is the SMILES notation for 4-methylsulfanyl-N-(2-phenylethyl)benzenesulfonamide?
The canonical SMILES for 4-methylsulfanyl-N-(2-phenylethyl)benzenesulfonamide is CSc1ccc(S(=O)(=O)NCCc2ccccc2)cc1.
What is the InChIKey of 4-methylsulfanyl-N-(2-phenylethyl)benzenesulfonamide?
The InChIKey is HVRBYDDSDSGHQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S2/c1-19-14-7-9-15(10-8-14)20(17,18)16-12-11-13-5-3-2-4-6-13/h2-10,16H,11-12H2,1H3.
What are the key properties of 4-methylsulfanyl-N-(2-phenylethyl)benzenesulfonamide?
4-methylsulfanyl-N-(2-phenylethyl)benzenesulfonamide has a molecular weight of 307.44 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanyl-N-(2-phenylethyl)benzenesulfonamide is sourced from PubChem (CID 961989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).