2,4-dimethylbenzene-1,3-disulfonamide

C8H12N2O4S2 — CID 12548801

IUPAC2,4-dimethylbenzene-1,3-disulfonamide
SMILESCc1ccc(S(N)(=O)=O)c(C)c1S(N)(=O)=O
InChIInChI=1S/C8H12N2O4S2/c1-5-3-4-7(15(9,11)12)6(2)8(5)16(10,13)14/h3-4H,1-2H3,(H2,9,11,12)(H2,10,13,14)
InChIKeyARBLWTAXCRKGJF-UHFFFAOYSA-N
MW264.33 g/mol
LogP-0.40
Rot. Bonds2

About 2,4-dimethylbenzene-1,3-disulfonamide

2,4-dimethylbenzene-1,3-disulfonamide (PubChem CID 12548801) has the molecular formula C8H12N2O4S2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 2,4-dimethylbenzene-1,3-disulfonamide.

Molecular Properties

Compound Name2,4-dimethylbenzene-1,3-disulfonamide
PubChem CID12548801
Molecular FormulaC8H12N2O4S2
Molecular Weight264.33 g/mol
Exact Mass264.02
IUPAC Name2,4-dimethylbenzene-1,3-disulfonamide
SMILESCc1ccc(S(N)(=O)=O)c(C)c1S(N)(=O)=O
InChIInChI=1S/C8H12N2O4S2/c1-5-3-4-7(15(9,11)12)6(2)8(5)16(10,13)14/h3-4H,1-2H3,(H2,9,11,12)(H2,10,13,14)
InChIKeyARBLWTAXCRKGJF-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

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethylbenzene-1,3-disulfonamide?
The IUPAC name of 2,4-dimethylbenzene-1,3-disulfonamide (CID 12548801) is 2,4-dimethylbenzene-1,3-disulfonamide.
What is the SMILES notation for 2,4-dimethylbenzene-1,3-disulfonamide?
The canonical SMILES for 2,4-dimethylbenzene-1,3-disulfonamide is Cc1ccc(S(N)(=O)=O)c(C)c1S(N)(=O)=O.
What is the InChIKey of 2,4-dimethylbenzene-1,3-disulfonamide?
The InChIKey is ARBLWTAXCRKGJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O4S2/c1-5-3-4-7(15(9,11)12)6(2)8(5)16(10,13)14/h3-4H,1-2H3,(H2,9,11,12)(H2,10,13,14).
What are the key properties of 2,4-dimethylbenzene-1,3-disulfonamide?
2,4-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 2,4-dimethylbenzene-1,3-disulfonamide is sourced from PubChem (CID 12548801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).