4-methylsulfanyl-N-(1-phenylethyl)benzenesulfonamide

C15H17NO2S2 — CID 2962951

IUPAC4-methylsulfanyl-N-(1-phenylethyl)benzenesulfonamide
SMILESCSc1ccc(S(=O)(=O)NC(C)c2ccccc2)cc1
InChIInChI=1S/C15H17NO2S2/c1-12(13-6-4-3-5-7-13)16-20(17,18)15-10-8-14(19-2)9-11-15/h3-12,16H,1-2H3
InChIKeyLHBDFYMNDAITSX-UHFFFAOYSA-N
MW307.44 g/mol
LogP3.45
Rot. Bonds5

About 4-methylsulfanyl-N-(1-phenylethyl)benzenesulfonamide

4-methylsulfanyl-N-(1-phenylethyl)benzenesulfonamide (PubChem CID 2962951) has the molecular formula C15H17NO2S2 and a molecular weight of 307.44 g/mol. Its IUPAC name is 4-methylsulfanyl-N-(1-phenylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methylsulfanyl-N-(1-phenylethyl)benzenesulfonamide
PubChem CID2962951
Molecular FormulaC15H17NO2S2
Molecular Weight307.44 g/mol
Exact Mass307.07
IUPAC Name4-methylsulfanyl-N-(1-phenylethyl)benzenesulfonamide
SMILESCSc1ccc(S(=O)(=O)NC(C)c2ccccc2)cc1
InChIInChI=1S/C15H17NO2S2/c1-12(13-6-4-3-5-7-13)16-20(17,18)15-10-8-14(19-2)9-11-15/h3-12,16H,1-2H3
InChIKeyLHBDFYMNDAITSX-UHFFFAOYSA-N
XLogP3.45
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanyl-N-(1-phenylethyl)benzenesulfonamide?
The IUPAC name of 4-methylsulfanyl-N-(1-phenylethyl)benzenesulfonamide (CID 2962951) is 4-methylsulfanyl-N-(1-phenylethyl)benzenesulfonamide.
What is the SMILES notation for 4-methylsulfanyl-N-(1-phenylethyl)benzenesulfonamide?
The canonical SMILES for 4-methylsulfanyl-N-(1-phenylethyl)benzenesulfonamide is CSc1ccc(S(=O)(=O)NC(C)c2ccccc2)cc1.
What is the InChIKey of 4-methylsulfanyl-N-(1-phenylethyl)benzenesulfonamide?
The InChIKey is LHBDFYMNDAITSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S2/c1-12(13-6-4-3-5-7-13)16-20(17,18)15-10-8-14(19-2)9-11-15/h3-12,16H,1-2H3.
What are the key properties of 4-methylsulfanyl-N-(1-phenylethyl)benzenesulfonamide?
4-methylsulfanyl-N-(1-phenylethyl)benzenesulfonamide has a molecular weight of 307.44 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanyl-N-(1-phenylethyl)benzenesulfonamide is sourced from PubChem (CID 2962951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).