3-N,4-dimethylbenzene-1,3-disulfonamide

C8H12N2O4S2 — CID 43363677

IUPAC3-N,4-dimethylbenzene-1,3-disulfonamide
SMILESCNS(=O)(=O)c1cc(S(N)(=O)=O)ccc1C
InChIInChI=1S/C8H12N2O4S2/c1-6-3-4-7(15(9,11)12)5-8(6)16(13,14)10-2/h3-5,10H,1-2H3,(H2,9,11,12)
InChIKeyBKEWPRDEZPVBEF-UHFFFAOYSA-N
MW264.33 g/mol
LogP-0.45
Rot. Bonds3

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

3-N,4-dimethylbenzene-1,3-disulfonamide (PubChem CID 43363677) has the molecular formula C8H12N2O4S2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 3-N,4-dimethylbenzene-1,3-disulfonamide.

Molecular Properties

Compound Name3-N,4-dimethylbenzene-1,3-disulfonamide
PubChem CID43363677
Molecular FormulaC8H12N2O4S2
Molecular Weight264.33 g/mol
Exact Mass264.02
IUPAC Name3-N,4-dimethylbenzene-1,3-disulfonamide
SMILESCNS(=O)(=O)c1cc(S(N)(=O)=O)ccc1C
InChIInChI=1S/C8H12N2O4S2/c1-6-3-4-7(15(9,11)12)5-8(6)16(13,14)10-2/h3-5,10H,1-2H3,(H2,9,11,12)
InChIKeyBKEWPRDEZPVBEF-UHFFFAOYSA-N
XLogP-0.45
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[4-methyl-3-(methylsulfamoyl)phenyl]benzene-1,4-disulfonamide
CID 18286970
4-N,2-dimethylbenzene-1,4-disulfonamide
CID 162500455
2-methyl-5-(methylsulfamoyl)benzenesulfonyl chloride
CID 43469166
3-(4-aminophenyl)sulfonyl-4-methylbenzenesulfonamide
CID 70565114
2-methyl-5-methylsulfonylbenzenesulfonamide
CID 597880
2-methyl-5-methylsulfonyl-N-[1-(3-sulfamoylphenyl)ethyl]benzenesulfonamide
CID 55904615
3-(4-amino-3,5-dichlorophenyl)sulfonyl-4-methylbenzenesulfonamide
CID 70564740
3-(4-amino-3-bromophenyl)sulfonyl-4-methylbenzenesulfonamide
CID 70565930
5-[(4-ethylphenyl)sulfonylamino]-N,2-dimethylbenzenesulfonamide
CID 8519772
3-(4-amino-2,5-dibromophenyl)sulfonyl-4-methylbenzenesulfonamide
CID 70563449
3-[4-amino-2-(trifluoromethyl)phenyl]sulfonyl-4-methylbenzenesulfonamide
CID 70564158
2-amino-2-methyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]propanamide
CID 61265605

Frequently Asked Questions

What is the IUPAC name of 3-N,4-dimethylbenzene-1,3-disulfonamide?
The IUPAC name of 3-N,4-dimethylbenzene-1,3-disulfonamide (CID 43363677) is 3-N,4-dimethylbenzene-1,3-disulfonamide.
What is the SMILES notation for 3-N,4-dimethylbenzene-1,3-disulfonamide?
The canonical SMILES for 3-N,4-dimethylbenzene-1,3-disulfonamide is CNS(=O)(=O)c1cc(S(N)(=O)=O)ccc1C.
What is the InChIKey of 3-N,4-dimethylbenzene-1,3-disulfonamide?
The InChIKey is BKEWPRDEZPVBEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O4S2/c1-6-3-4-7(15(9,11)12)5-8(6)16(13,14)10-2/h3-5,10H,1-2H3,(H2,9,11,12).
What are the key properties of 3-N,4-dimethylbenzene-1,3-disulfonamide?
3-N,4-dimethylbenzene-1,3-disulfonamide has a molecular weight of 264.33 g/mol, XLogP of -0.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,4-dimethylbenzene-1,3-disulfonamide is sourced from PubChem (CID 43363677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).