4-N,2-dimethylbenzene-1,4-disulfonamide

C8H12N2O4S2 — CID 162500455

IUPAC4-N,2-dimethylbenzene-1,4-disulfonamide
SMILESCNS(=O)(=O)c1ccc(S(N)(=O)=O)c(C)c1
InChIInChI=1S/C8H12N2O4S2/c1-6-5-7(16(13,14)10-2)3-4-8(6)15(9,11)12/h3-5,10H,1-2H3,(H2,9,11,12)
InChIKeyWUACGCAMPBPAFL-UHFFFAOYSA-N
MW264.33 g/mol
LogP-0.45
Rot. Bonds3

About 4-N,2-dimethylbenzene-1,4-disulfonamide

4-N,2-dimethylbenzene-1,4-disulfonamide (PubChem CID 162500455) has the molecular formula C8H12N2O4S2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 4-N,2-dimethylbenzene-1,4-disulfonamide.

Molecular Properties

Compound Name4-N,2-dimethylbenzene-1,4-disulfonamide
PubChem CID162500455
Molecular FormulaC8H12N2O4S2
Molecular Weight264.33 g/mol
Exact Mass264.02
IUPAC Name4-N,2-dimethylbenzene-1,4-disulfonamide
SMILESCNS(=O)(=O)c1ccc(S(N)(=O)=O)c(C)c1
InChIInChI=1S/C8H12N2O4S2/c1-6-5-7(16(13,14)10-2)3-4-8(6)15(9,11)12/h3-5,10H,1-2H3,(H2,9,11,12)
InChIKeyWUACGCAMPBPAFL-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

3-methyl-4-sulfamoylbenzenesulfonyl chloride
CID 63179688
3-N,4-dimethylbenzene-1,3-disulfonamide
CID 43363677
4-chloro-N,3-dimethylbenzenesulfonamide
CID 50876568
2-methyl-4-(methylamino)benzenesulfonamide
CID 71282580
2-methyl-5-(methylsulfamoyl)benzenesulfonyl chloride
CID 43469166
N,3-dimethyl-4-propan-2-ylbenzenesulfonamide
CID 70996925
3-amino-N-methyl-4-methylsulfonylbenzenesulfonamide
CID 67169234
3-iodo-N,4-dimethylbenzenesulfonamide
CID 2817416
4-cyano-N,3-dimethylbenzenesulfonamide
CID 106832880
4-(hydroxymethyl)-N,3-dimethylbenzenesulfonamide
CID 130524122
4-(3-aminophenyl)sulfonyl-2-methylbenzenesulfonamide
CID 54172567
4-(benzenesulfonamido)-2-methylbenzenesulfonamide
CID 43246869

Frequently Asked Questions

What is the IUPAC name of 4-N,2-dimethylbenzene-1,4-disulfonamide?
The IUPAC name of 4-N,2-dimethylbenzene-1,4-disulfonamide (CID 162500455) is 4-N,2-dimethylbenzene-1,4-disulfonamide.
What is the SMILES notation for 4-N,2-dimethylbenzene-1,4-disulfonamide?
The canonical SMILES for 4-N,2-dimethylbenzene-1,4-disulfonamide is CNS(=O)(=O)c1ccc(S(N)(=O)=O)c(C)c1.
What is the InChIKey of 4-N,2-dimethylbenzene-1,4-disulfonamide?
The InChIKey is WUACGCAMPBPAFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O4S2/c1-6-5-7(16(13,14)10-2)3-4-8(6)15(9,11)12/h3-5,10H,1-2H3,(H2,9,11,12).
What are the key properties of 4-N,2-dimethylbenzene-1,4-disulfonamide?
4-N,2-dimethylbenzene-1,4-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 4-N,2-dimethylbenzene-1,4-disulfonamide is sourced from PubChem (CID 162500455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).