2-N-[(E)-pent-3-enyl]benzene-1,2-disulfonamide

C11H16N2O4S2 — CID 113465908

IUPAC2-N-[(E)-pent-3-enyl]benzene-1,2-disulfonamide
SMILESC/C=C/CCNS(=O)(=O)c1ccccc1S(N)(=O)=O
InChIInChI=1S/C11H16N2O4S2/c1-2-3-6-9-13-19(16,17)11-8-5-4-7-10(11)18(12,14)15/h2-5,7-8,13H,6,9H2,1H3,(H2,12,14,15)/b3-2+
InChIKeyNNJXVRPQSVVYJI-NSCUHMNNSA-N
MW304.39 g/mol
LogP0.58
Rot. Bonds6

About 2-N-[(E)-pent-3-enyl]benzene-1,2-disulfonamide

2-N-[(E)-pent-3-enyl]benzene-1,2-disulfonamide (PubChem CID 113465908) has the molecular formula C11H16N2O4S2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 2-N-[(E)-pent-3-enyl]benzene-1,2-disulfonamide.

Molecular Properties

Compound Name2-N-[(E)-pent-3-enyl]benzene-1,2-disulfonamide
PubChem CID113465908
Molecular FormulaC11H16N2O4S2
Molecular Weight304.39 g/mol
Exact Mass304.06
IUPAC Name2-N-[(E)-pent-3-enyl]benzene-1,2-disulfonamide
SMILESC/C=C/CCNS(=O)(=O)c1ccccc1S(N)(=O)=O
InChIInChI=1S/C11H16N2O4S2/c1-2-3-6-9-13-19(16,17)11-8-5-4-7-10(11)18(12,14)15/h2-5,7-8,13H,6,9H2,1H3,(H2,12,14,15)/b3-2+
InChIKeyNNJXVRPQSVVYJI-NSCUHMNNSA-N
XLogP0.58
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-2-[[(E)-pent-3-enyl]amino]benzenesulfonamide
CID 113465748
2-methyl-3-nitro-N-[(E)-pent-3-enyl]benzenesulfonamide
CID 115628675
5-fluoro-2-methyl-N-[(E)-pent-3-enyl]benzenesulfonamide
CID 115628679
4-amino-3-bromo-N-[(E)-pent-3-enyl]benzenesulfonamide
CID 113465284
3-methyl-N-[(E)-pent-3-enyl]quinoline-8-sulfonamide
CID 113236576
2-N-(2,3-dimethylbutyl)benzene-1,2-disulfonamide
CID 64596836
1,3-dimethyl-2,4-dioxo-N-[(E)-pent-3-enyl]pyrimidine-5-sulfonamide
CID 113236593
2-fluoro-5-methylsulfonyl-N-[(E)-pent-3-enyl]benzenesulfonamide
CID 113465537
3-amino-2,5-diethyl-N-[(E)-pent-3-enyl]benzenesulfonamide
CID 107406932
methyl 3-[[(E)-pent-3-enyl]sulfamoyl]benzoate
CID 115628671
2-N-[(1-ethylcyclopropyl)methyl]benzene-1,2-disulfonamide
CID 114101616
3,5-difluoro-N-[(E)-pent-3-enyl]benzenesulfonamide
CID 115628668

Frequently Asked Questions

What is the IUPAC name of 2-N-[(E)-pent-3-enyl]benzene-1,2-disulfonamide?
The IUPAC name of 2-N-[(E)-pent-3-enyl]benzene-1,2-disulfonamide (CID 113465908) is 2-N-[(E)-pent-3-enyl]benzene-1,2-disulfonamide.
What is the SMILES notation for 2-N-[(E)-pent-3-enyl]benzene-1,2-disulfonamide?
The canonical SMILES for 2-N-[(E)-pent-3-enyl]benzene-1,2-disulfonamide is C/C=C/CCNS(=O)(=O)c1ccccc1S(N)(=O)=O.
What is the InChIKey of 2-N-[(E)-pent-3-enyl]benzene-1,2-disulfonamide?
The InChIKey is NNJXVRPQSVVYJI-NSCUHMNNSA-N. The full InChI is InChI=1S/C11H16N2O4S2/c1-2-3-6-9-13-19(16,17)11-8-5-4-7-10(11)18(12,14)15/h2-5,7-8,13H,6,9H2,1H3,(H2,12,14,15)/b3-2+.
What are the key properties of 2-N-[(E)-pent-3-enyl]benzene-1,2-disulfonamide?
2-N-[(E)-pent-3-enyl]benzene-1,2-disulfonamide has a molecular weight of 304.39 g/mol, XLogP of 0.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(E)-pent-3-enyl]benzene-1,2-disulfonamide is sourced from PubChem (CID 113465908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).