N,4-dimethylbenzenesulfonamide

C8H11NO2S — CID 12543

IUPACN,4-dimethylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C8H11NO2S/c1-7-3-5-8(6-4-7)12(10,11)9-2/h3-6,9H,1-2H3
InChIKeyGWLOGZRVYXAHRE-UHFFFAOYSA-N
MW185.25 g/mol
LogP0.90
Rot. Bonds2

About N,4-dimethylbenzenesulfonamide

N,4-dimethylbenzenesulfonamide (PubChem CID 12543) has the molecular formula C8H11NO2S and a molecular weight of 185.25 g/mol. Its IUPAC name is N,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN,4-dimethylbenzenesulfonamide
PubChem CID12543
Molecular FormulaC8H11NO2S
Molecular Weight185.25 g/mol
Exact Mass185.05
IUPAC NameN,4-dimethylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C8H11NO2S/c1-7-3-5-8(6-4-7)12(10,11)9-2/h3-6,9H,1-2H3
InChIKeyGWLOGZRVYXAHRE-UHFFFAOYSA-N
XLogP0.90
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,4-dimethylbenzenesulfonamide?
The IUPAC name of N,4-dimethylbenzenesulfonamide (CID 12543) is N,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N,4-dimethylbenzenesulfonamide?
The canonical SMILES for N,4-dimethylbenzenesulfonamide is CNS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N,4-dimethylbenzenesulfonamide?
The InChIKey is GWLOGZRVYXAHRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2S/c1-7-3-5-8(6-4-7)12(10,11)9-2/h3-6,9H,1-2H3.
What are the key properties of N,4-dimethylbenzenesulfonamide?
N,4-dimethylbenzenesulfonamide has a molecular weight of 185.25 g/mol, XLogP of 0.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 12543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).