N-methyl-4-methylsulfanylbenzenesulfonamide

C8H11NO2S2 — CID 961941

IUPACN-methyl-4-methylsulfanylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(SC)cc1
InChIInChI=1S/C8H11NO2S2/c1-9-13(10,11)8-5-3-7(12-2)4-6-8/h3-6,9H,1-2H3
InChIKeyIVWUYMKBMRPNDY-UHFFFAOYSA-N
MW217.31 g/mol
LogP1.32
Rot. Bonds3

About N-methyl-4-methylsulfanylbenzenesulfonamide

N-methyl-4-methylsulfanylbenzenesulfonamide (PubChem CID 961941) has the molecular formula C8H11NO2S2 and a molecular weight of 217.31 g/mol. Its IUPAC name is N-methyl-4-methylsulfanylbenzenesulfonamide.

Molecular Properties

Compound NameN-methyl-4-methylsulfanylbenzenesulfonamide
PubChem CID961941
Molecular FormulaC8H11NO2S2
Molecular Weight217.31 g/mol
Exact Mass217.02
IUPAC NameN-methyl-4-methylsulfanylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(SC)cc1
InChIInChI=1S/C8H11NO2S2/c1-9-13(10,11)8-5-3-7(12-2)4-6-8/h3-6,9H,1-2H3
InChIKeyIVWUYMKBMRPNDY-UHFFFAOYSA-N
XLogP1.32
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-methylsulfanylbenzenesulfonamide?
The IUPAC name of N-methyl-4-methylsulfanylbenzenesulfonamide (CID 961941) is N-methyl-4-methylsulfanylbenzenesulfonamide.
What is the SMILES notation for N-methyl-4-methylsulfanylbenzenesulfonamide?
The canonical SMILES for N-methyl-4-methylsulfanylbenzenesulfonamide is CNS(=O)(=O)c1ccc(SC)cc1.
What is the InChIKey of N-methyl-4-methylsulfanylbenzenesulfonamide?
The InChIKey is IVWUYMKBMRPNDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2S2/c1-9-13(10,11)8-5-3-7(12-2)4-6-8/h3-6,9H,1-2H3.
What are the key properties of N-methyl-4-methylsulfanylbenzenesulfonamide?
N-methyl-4-methylsulfanylbenzenesulfonamide has a molecular weight of 217.31 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-methylsulfanylbenzenesulfonamide is sourced from PubChem (CID 961941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).