N-(2-ethylphenyl)-4-methylsulfanylbenzenesulfonamide

C15H17NO2S2 — CID 967758

IUPACN-(2-ethylphenyl)-4-methylsulfanylbenzenesulfonamide
SMILESCCc1ccccc1NS(=O)(=O)c1ccc(SC)cc1
InChIInChI=1S/C15H17NO2S2/c1-3-12-6-4-5-7-15(12)16-20(17,18)14-10-8-13(19-2)9-11-14/h4-11,16H,3H2,1-2H3
InChIKeyBHQABRPOSOOTJD-UHFFFAOYSA-N
MW307.44 g/mol
LogP3.77
Rot. Bonds5

About N-(2-ethylphenyl)-4-methylsulfanylbenzenesulfonamide

N-(2-ethylphenyl)-4-methylsulfanylbenzenesulfonamide (PubChem CID 967758) has the molecular formula C15H17NO2S2 and a molecular weight of 307.44 g/mol. Its IUPAC name is N-(2-ethylphenyl)-4-methylsulfanylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-4-methylsulfanylbenzenesulfonamide
PubChem CID967758
Molecular FormulaC15H17NO2S2
Molecular Weight307.44 g/mol
Exact Mass307.07
IUPAC NameN-(2-ethylphenyl)-4-methylsulfanylbenzenesulfonamide
SMILESCCc1ccccc1NS(=O)(=O)c1ccc(SC)cc1
InChIInChI=1S/C15H17NO2S2/c1-3-12-6-4-5-7-15(12)16-20(17,18)14-10-8-13(19-2)9-11-14/h4-11,16H,3H2,1-2H3
InChIKeyBHQABRPOSOOTJD-UHFFFAOYSA-N
XLogP3.77
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 ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-4-methylsulfanylbenzenesulfonamide?
The IUPAC name of N-(2-ethylphenyl)-4-methylsulfanylbenzenesulfonamide (CID 967758) is N-(2-ethylphenyl)-4-methylsulfanylbenzenesulfonamide.
What is the SMILES notation for N-(2-ethylphenyl)-4-methylsulfanylbenzenesulfonamide?
The canonical SMILES for N-(2-ethylphenyl)-4-methylsulfanylbenzenesulfonamide is CCc1ccccc1NS(=O)(=O)c1ccc(SC)cc1.
What is the InChIKey of N-(2-ethylphenyl)-4-methylsulfanylbenzenesulfonamide?
The InChIKey is BHQABRPOSOOTJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S2/c1-3-12-6-4-5-7-15(12)16-20(17,18)14-10-8-13(19-2)9-11-14/h4-11,16H,3H2,1-2H3.
What are the key properties of N-(2-ethylphenyl)-4-methylsulfanylbenzenesulfonamide?
N-(2-ethylphenyl)-4-methylsulfanylbenzenesulfonamide has a molecular weight of 307.44 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-4-methylsulfanylbenzenesulfonamide is sourced from PubChem (CID 967758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).