4,6-dimethylbenzene-1,3-disulfonamide

C8H12N2O4S2 — CID 555180

IUPAC4,6-dimethylbenzene-1,3-disulfonamide
SMILESCc1cc(C)c(S(N)(=O)=O)cc1S(N)(=O)=O
InChIInChI=1S/C8H12N2O4S2/c1-5-3-6(2)8(16(10,13)14)4-7(5)15(9,11)12/h3-4H,1-2H3,(H2,9,11,12)(H2,10,13,14)
InChIKeyZNQJWUISJISGSX-UHFFFAOYSA-N
MW264.33 g/mol
LogP-0.40
Rot. Bonds2

About 4,6-dimethylbenzene-1,3-disulfonamide

4,6-dimethylbenzene-1,3-disulfonamide (PubChem CID 555180) has the molecular formula C8H12N2O4S2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 4,6-dimethylbenzene-1,3-disulfonamide.

Molecular Properties

Compound Name4,6-dimethylbenzene-1,3-disulfonamide
PubChem CID555180
Molecular FormulaC8H12N2O4S2
Molecular Weight264.33 g/mol
Exact Mass264.02
IUPAC Name4,6-dimethylbenzene-1,3-disulfonamide
SMILESCc1cc(C)c(S(N)(=O)=O)cc1S(N)(=O)=O
InChIInChI=1S/C8H12N2O4S2/c1-5-3-6(2)8(16(10,13)14)4-7(5)15(9,11)12/h3-4H,1-2H3,(H2,9,11,12)(H2,10,13,14)
InChIKeyZNQJWUISJISGSX-UHFFFAOYSA-N
XLogP-0.40
TPSA120.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4,6-dimethylbenzene-1,3-disulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

P-Toluenesulfonamide
CID 6269
2-Methylbenzenesulfonamide
CID 6924
Meticrane
CID 4165
4-Ethylbenzenesulfonamide
CID 222870
4-Butylbenzenesulfonamide
CID 2054776
4-Propylbenzenesulfonamide
CID 2265561
Sodium m-xylene-4-sulfonate
CID 23677979
2-Mesitylenesulfonyl chloride
CID 13046
Ammonium Xylenesulfonate
CID 33512
2,4,6-Trimethylbenzenesulfonamide
CID 258545
Benzenesulfonamide, 4-methyl-N-((4-methylphenyl)sulfonyl)-
CID 77279
Benzenesulfonyl chloride, 2,4-dimethyl-
CID 69109

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethylbenzene-1,3-disulfonamide?
The IUPAC name of 4,6-dimethylbenzene-1,3-disulfonamide (CID 555180) is 4,6-dimethylbenzene-1,3-disulfonamide.
What is the SMILES notation for 4,6-dimethylbenzene-1,3-disulfonamide?
The canonical SMILES for 4,6-dimethylbenzene-1,3-disulfonamide is Cc1cc(C)c(S(N)(=O)=O)cc1S(N)(=O)=O.
What is the InChIKey of 4,6-dimethylbenzene-1,3-disulfonamide?
The InChIKey is ZNQJWUISJISGSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O4S2/c1-5-3-6(2)8(16(10,13)14)4-7(5)15(9,11)12/h3-4H,1-2H3,(H2,9,11,12)(H2,10,13,14).
What are the key properties of 4,6-dimethylbenzene-1,3-disulfonamide?
4,6-dimethylbenzene-1,3-disulfonamide has a molecular weight of 264.33 g/mol, XLogP of -0.40, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethylbenzene-1,3-disulfonamide is sourced from PubChem (CID 555180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).