N,N-dimethyl-4-methylsulfanylbenzenesulfonamide

C9H13NO2S2 — CID 967237

IUPACN,N-dimethyl-4-methylsulfanylbenzenesulfonamide
SMILESCSc1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C9H13NO2S2/c1-10(2)14(11,12)9-6-4-8(13-3)5-7-9/h4-7H,1-3H3
InChIKeyXFQBOCCMZFKOCV-UHFFFAOYSA-N
MW231.34 g/mol
LogP1.66
Rot. Bonds3

About N,N-dimethyl-4-methylsulfanylbenzenesulfonamide

N,N-dimethyl-4-methylsulfanylbenzenesulfonamide (PubChem CID 967237) has the molecular formula C9H13NO2S2 and a molecular weight of 231.34 g/mol. Its IUPAC name is N,N-dimethyl-4-methylsulfanylbenzenesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-4-methylsulfanylbenzenesulfonamide
PubChem CID967237
Molecular FormulaC9H13NO2S2
Molecular Weight231.34 g/mol
Exact Mass231.04
IUPAC NameN,N-dimethyl-4-methylsulfanylbenzenesulfonamide
SMILESCSc1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C9H13NO2S2/c1-10(2)14(11,12)9-6-4-8(13-3)5-7-9/h4-7H,1-3H3
InChIKeyXFQBOCCMZFKOCV-UHFFFAOYSA-N
XLogP1.66
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-methylsulfanylbenzenesulfonamide?
The IUPAC name of N,N-dimethyl-4-methylsulfanylbenzenesulfonamide (CID 967237) is N,N-dimethyl-4-methylsulfanylbenzenesulfonamide.
What is the SMILES notation for N,N-dimethyl-4-methylsulfanylbenzenesulfonamide?
The canonical SMILES for N,N-dimethyl-4-methylsulfanylbenzenesulfonamide is CSc1ccc(S(=O)(=O)N(C)C)cc1.
What is the InChIKey of N,N-dimethyl-4-methylsulfanylbenzenesulfonamide?
The InChIKey is XFQBOCCMZFKOCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2S2/c1-10(2)14(11,12)9-6-4-8(13-3)5-7-9/h4-7H,1-3H3.
What are the key properties of N,N-dimethyl-4-methylsulfanylbenzenesulfonamide?
N,N-dimethyl-4-methylsulfanylbenzenesulfonamide has a molecular weight of 231.34 g/mol, XLogP of 1.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-methylsulfanylbenzenesulfonamide is sourced from PubChem (CID 967237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).