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

C8H12N2O4S2 — CID 16784503

IUPAC4-N,4-N-dimethylbenzene-1,4-disulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C8H12N2O4S2/c1-10(2)16(13,14)8-5-3-7(4-6-8)15(9,11)12/h3-6H,1-2H3,(H2,9,11,12)
InChIKeyYQVXYYCWEPCDTF-UHFFFAOYSA-N
MW264.33 g/mol
LogP-0.42
Rot. Bonds3

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

4-N,4-N-dimethylbenzene-1,4-disulfonamide (PubChem CID 16784503) has the molecular formula C8H12N2O4S2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 4-N,4-N-dimethylbenzene-1,4-disulfonamide.

Molecular Properties

Compound Name4-N,4-N-dimethylbenzene-1,4-disulfonamide
PubChem CID16784503
Molecular FormulaC8H12N2O4S2
Molecular Weight264.33 g/mol
Exact Mass264.02
IUPAC Name4-N,4-N-dimethylbenzene-1,4-disulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C8H12N2O4S2/c1-10(2)16(13,14)8-5-3-7(4-6-8)15(9,11)12/h3-6H,1-2H3,(H2,9,11,12)
InChIKeyYQVXYYCWEPCDTF-UHFFFAOYSA-N
XLogP-0.42
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-dimethylbenzene-1,4-disulfonamide?
The IUPAC name of 4-N,4-N-dimethylbenzene-1,4-disulfonamide (CID 16784503) is 4-N,4-N-dimethylbenzene-1,4-disulfonamide.
What is the SMILES notation for 4-N,4-N-dimethylbenzene-1,4-disulfonamide?
The canonical SMILES for 4-N,4-N-dimethylbenzene-1,4-disulfonamide is CN(C)S(=O)(=O)c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-N,4-N-dimethylbenzene-1,4-disulfonamide?
The InChIKey is YQVXYYCWEPCDTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O4S2/c1-10(2)16(13,14)8-5-3-7(4-6-8)15(9,11)12/h3-6H,1-2H3,(H2,9,11,12).
What are the key properties of 4-N,4-N-dimethylbenzene-1,4-disulfonamide?
4-N,4-N-dimethylbenzene-1,4-disulfonamide has a molecular weight of 264.33 g/mol, XLogP of -0.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-dimethylbenzene-1,4-disulfonamide is sourced from PubChem (CID 16784503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).