3,5-dimethylbenzenesulfonamide

C8H11NO2S — CID 12757679

IUPAC3,5-dimethylbenzenesulfonamide
SMILESCc1cc(C)cc(S(N)(=O)=O)c1
InChIInChI=1S/C8H11NO2S/c1-6-3-7(2)5-8(4-6)12(9,10)11/h3-5H,1-2H3,(H2,9,10,11)
InChIKeyBRPHYVPAIXLWED-UHFFFAOYSA-N
MW185.25 g/mol
LogP0.95
Rot. Bonds1

About 3,5-dimethylbenzenesulfonamide

3,5-dimethylbenzenesulfonamide (PubChem CID 12757679) has the molecular formula C8H11NO2S and a molecular weight of 185.25 g/mol. Its IUPAC name is 3,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name3,5-dimethylbenzenesulfonamide
PubChem CID12757679
Molecular FormulaC8H11NO2S
Molecular Weight185.25 g/mol
Exact Mass185.05
IUPAC Name3,5-dimethylbenzenesulfonamide
SMILESCc1cc(C)cc(S(N)(=O)=O)c1
InChIInChI=1S/C8H11NO2S/c1-6-3-7(2)5-8(4-6)12(9,10)11/h3-5H,1-2H3,(H2,9,10,11)
InChIKeyBRPHYVPAIXLWED-UHFFFAOYSA-N
XLogP0.95
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethylbenzenesulfonamide?
The IUPAC name of 3,5-dimethylbenzenesulfonamide (CID 12757679) is 3,5-dimethylbenzenesulfonamide.
What is the SMILES notation for 3,5-dimethylbenzenesulfonamide?
The canonical SMILES for 3,5-dimethylbenzenesulfonamide is Cc1cc(C)cc(S(N)(=O)=O)c1.
What is the InChIKey of 3,5-dimethylbenzenesulfonamide?
The InChIKey is BRPHYVPAIXLWED-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2S/c1-6-3-7(2)5-8(4-6)12(9,10)11/h3-5H,1-2H3,(H2,9,10,11).
What are the key properties of 3,5-dimethylbenzenesulfonamide?
3,5-dimethylbenzenesulfonamide has a molecular weight of 185.25 g/mol, XLogP of 0.95, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 12757679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).