4-methylsulfanyl-N-prop-2-enylbenzenesulfonamide

C10H13NO2S2 — CID 2217823

IUPAC4-methylsulfanyl-N-prop-2-enylbenzenesulfonamide
SMILESC=CCNS(=O)(=O)c1ccc(SC)cc1
InChIInChI=1S/C10H13NO2S2/c1-3-8-11-15(12,13)10-6-4-9(14-2)5-7-10/h3-7,11H,1,8H2,2H3
InChIKeyMXRCPDFLHUHLLL-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.87
Rot. Bonds5

About 4-methylsulfanyl-N-prop-2-enylbenzenesulfonamide

4-methylsulfanyl-N-prop-2-enylbenzenesulfonamide (PubChem CID 2217823) has the molecular formula C10H13NO2S2 and a molecular weight of 243.35 g/mol. Its IUPAC name is 4-methylsulfanyl-N-prop-2-enylbenzenesulfonamide.

Molecular Properties

Compound Name4-methylsulfanyl-N-prop-2-enylbenzenesulfonamide
PubChem CID2217823
Molecular FormulaC10H13NO2S2
Molecular Weight243.35 g/mol
Exact Mass243.04
IUPAC Name4-methylsulfanyl-N-prop-2-enylbenzenesulfonamide
SMILESC=CCNS(=O)(=O)c1ccc(SC)cc1
InChIInChI=1S/C10H13NO2S2/c1-3-8-11-15(12,13)10-6-4-9(14-2)5-7-10/h3-7,11H,1,8H2,2H3
InChIKeyMXRCPDFLHUHLLL-UHFFFAOYSA-N
XLogP1.87
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanyl-N-prop-2-enylbenzenesulfonamide?
The IUPAC name of 4-methylsulfanyl-N-prop-2-enylbenzenesulfonamide (CID 2217823) is 4-methylsulfanyl-N-prop-2-enylbenzenesulfonamide.
What is the SMILES notation for 4-methylsulfanyl-N-prop-2-enylbenzenesulfonamide?
The canonical SMILES for 4-methylsulfanyl-N-prop-2-enylbenzenesulfonamide is C=CCNS(=O)(=O)c1ccc(SC)cc1.
What is the InChIKey of 4-methylsulfanyl-N-prop-2-enylbenzenesulfonamide?
The InChIKey is MXRCPDFLHUHLLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2S2/c1-3-8-11-15(12,13)10-6-4-9(14-2)5-7-10/h3-7,11H,1,8H2,2H3.
What are the key properties of 4-methylsulfanyl-N-prop-2-enylbenzenesulfonamide?
4-methylsulfanyl-N-prop-2-enylbenzenesulfonamide has a molecular weight of 243.35 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanyl-N-prop-2-enylbenzenesulfonamide is sourced from PubChem (CID 2217823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).