4-N,4-dimethylcyclohexa-1,5-diene-1,4-disulfonamide

C8H14N2O4S2 — CID 164573208

IUPAC4-N,4-dimethylcyclohexa-1,5-diene-1,4-disulfonamide
SMILESCNS(=O)(=O)C1(C)C=CC(S(N)(=O)=O)=CC1
InChIInChI=1S/C8H14N2O4S2/c1-8(16(13,14)10-2)5-3-7(4-6-8)15(9,11)12/h3-5,10H,6H2,1-2H3,(H2,9,11,12)
InChIKeyOCWGGTKNGVULKO-UHFFFAOYSA-N
MW266.34 g/mol
LogP-0.57
Rot. Bonds3

About 4-N,4-dimethylcyclohexa-1,5-diene-1,4-disulfonamide

4-N,4-dimethylcyclohexa-1,5-diene-1,4-disulfonamide (PubChem CID 164573208) has the molecular formula C8H14N2O4S2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 4-N,4-dimethylcyclohexa-1,5-diene-1,4-disulfonamide.

Molecular Properties

Compound Name4-N,4-dimethylcyclohexa-1,5-diene-1,4-disulfonamide
PubChem CID164573208
Molecular FormulaC8H14N2O4S2
Molecular Weight266.34 g/mol
Exact Mass266.04
IUPAC Name4-N,4-dimethylcyclohexa-1,5-diene-1,4-disulfonamide
SMILESCNS(=O)(=O)C1(C)C=CC(S(N)(=O)=O)=CC1
InChIInChI=1S/C8H14N2O4S2/c1-8(16(13,14)10-2)5-3-7(4-6-8)15(9,11)12/h3-5,10H,6H2,1-2H3,(H2,9,11,12)
InChIKeyOCWGGTKNGVULKO-UHFFFAOYSA-N
XLogP-0.57
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N,1-dimethyl-4-phenylcyclohexa-2,4-diene-1-sulfonamide
CID 175218489
4-amino-4-sulfanylcyclohexa-1,5-diene-1-sulfonamide
CID 151149052
2-N,2-dimethyl-3H-thiophene-2,5-disulfonamide
CID 175714123
4-amino-4-(aminomethyl)cyclohexa-1,5-diene-1-sulfonamide;hydrochloride
CID 175046040
3,3,6,6-tetramethylcycloocta-1,4,7-triene-1-sulfonamide
CID 123992831
4-amino-4-methoxycyclohexa-1,5-diene-1-sulfonic acid
CID 88598414
strontium bis(1,4-dimethylcyclohexa-2,4-diene-1-sulfonate)
CID 139842170
3-amino-4-hydroxy-1-N,4-N-dimethylcyclohexa-1,5-diene-1,4-disulfonamide
CID 22450207
1-methyl-N-(3-methylphenyl)-4-phenylcyclohexa-2,4-diene-1-sulfonamide
CID 175124759
1,4-dimethylcyclohexa-2,4-diene-1-sulfonic acid;2-(2-hydroxyethylamino)ethanol
CID 161301582
benzene;5-(5-methyl-1,2-oxazol-4-yl)cyclohepta-1,4,6-triene-1-sulfonamide
CID 142891121
1,3-dimethylcyclohexa-2,4-diene-1-sulfonamide
CID 139833149

Frequently Asked Questions

What is the IUPAC name of 4-N,4-dimethylcyclohexa-1,5-diene-1,4-disulfonamide?
The IUPAC name of 4-N,4-dimethylcyclohexa-1,5-diene-1,4-disulfonamide (CID 164573208) is 4-N,4-dimethylcyclohexa-1,5-diene-1,4-disulfonamide.
What is the SMILES notation for 4-N,4-dimethylcyclohexa-1,5-diene-1,4-disulfonamide?
The canonical SMILES for 4-N,4-dimethylcyclohexa-1,5-diene-1,4-disulfonamide is CNS(=O)(=O)C1(C)C=CC(S(N)(=O)=O)=CC1.
What is the InChIKey of 4-N,4-dimethylcyclohexa-1,5-diene-1,4-disulfonamide?
The InChIKey is OCWGGTKNGVULKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O4S2/c1-8(16(13,14)10-2)5-3-7(4-6-8)15(9,11)12/h3-5,10H,6H2,1-2H3,(H2,9,11,12).
What are the key properties of 4-N,4-dimethylcyclohexa-1,5-diene-1,4-disulfonamide?
4-N,4-dimethylcyclohexa-1,5-diene-1,4-disulfonamide has a molecular weight of 266.34 g/mol, XLogP of -0.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-dimethylcyclohexa-1,5-diene-1,4-disulfonamide is sourced from PubChem (CID 164573208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).