N-ethyl-3-(methylsulfanylmethyl)benzenesulfonamide

C10H15NO2S2 — CID 71688907

IUPACN-ethyl-3-(methylsulfanylmethyl)benzenesulfonamide
SMILESCCNS(=O)(=O)c1cccc(CSC)c1
InChIInChI=1S/C10H15NO2S2/c1-3-11-15(12,13)10-6-4-5-9(7-10)8-14-2/h4-7,11H,3,8H2,1-2H3
InChIKeyIOAWOYRIDITFQD-UHFFFAOYSA-N
MW245.37 g/mol
LogP1.85
Rot. Bonds5

About N-ethyl-3-(methylsulfanylmethyl)benzenesulfonamide

N-ethyl-3-(methylsulfanylmethyl)benzenesulfonamide (PubChem CID 71688907) has the molecular formula C10H15NO2S2 and a molecular weight of 245.37 g/mol. Its IUPAC name is N-ethyl-3-(methylsulfanylmethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-3-(methylsulfanylmethyl)benzenesulfonamide
PubChem CID71688907
Molecular FormulaC10H15NO2S2
Molecular Weight245.37 g/mol
Exact Mass245.05
IUPAC NameN-ethyl-3-(methylsulfanylmethyl)benzenesulfonamide
SMILESCCNS(=O)(=O)c1cccc(CSC)c1
InChIInChI=1S/C10H15NO2S2/c1-3-11-15(12,13)10-6-4-5-9(7-10)8-14-2/h4-7,11H,3,8H2,1-2H3
InChIKeyIOAWOYRIDITFQD-UHFFFAOYSA-N
XLogP1.85
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(methylsulfanylmethyl)benzenesulfonamide?
The IUPAC name of N-ethyl-3-(methylsulfanylmethyl)benzenesulfonamide (CID 71688907) is N-ethyl-3-(methylsulfanylmethyl)benzenesulfonamide.
What is the SMILES notation for N-ethyl-3-(methylsulfanylmethyl)benzenesulfonamide?
The canonical SMILES for N-ethyl-3-(methylsulfanylmethyl)benzenesulfonamide is CCNS(=O)(=O)c1cccc(CSC)c1.
What is the InChIKey of N-ethyl-3-(methylsulfanylmethyl)benzenesulfonamide?
The InChIKey is IOAWOYRIDITFQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S2/c1-3-11-15(12,13)10-6-4-5-9(7-10)8-14-2/h4-7,11H,3,8H2,1-2H3.
What are the key properties of N-ethyl-3-(methylsulfanylmethyl)benzenesulfonamide?
N-ethyl-3-(methylsulfanylmethyl)benzenesulfonamide has a molecular weight of 245.37 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(methylsulfanylmethyl)benzenesulfonamide is sourced from PubChem (CID 71688907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).