4-ethenylbenzenesulfonamide;4-ethenylbenzenesulfonic acid

C16H17NO5S2 — CID 88633665

IUPAC4-ethenylbenzenesulfonamide;4-ethenylbenzenesulfonic acid
SMILESC=Cc1ccc(S(=O)(=O)O)cc1.C=Cc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C8H9NO2S.C8H8O3S/c2*1-2-7-3-5-8(6-4-7)12(9,10)11/h2-6H,1H2,(H2,9,10,11);2-6H,1H2,(H,9,10,11)
InChIKeyHKMHOJIITSESTG-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.55
Rot. Bonds4

About 4-ethenylbenzenesulfonamide;4-ethenylbenzenesulfonic acid

4-ethenylbenzenesulfonamide;4-ethenylbenzenesulfonic acid (PubChem CID 88633665) has the molecular formula C16H17NO5S2 and a molecular weight of 367.45 g/mol. Its IUPAC name is 4-ethenylbenzenesulfonamide;4-ethenylbenzenesulfonic acid.

Molecular Properties

Compound Name4-ethenylbenzenesulfonamide;4-ethenylbenzenesulfonic acid
PubChem CID88633665
Molecular FormulaC16H17NO5S2
Molecular Weight367.45 g/mol
Exact Mass367.05
IUPAC Name4-ethenylbenzenesulfonamide;4-ethenylbenzenesulfonic acid
SMILESC=Cc1ccc(S(=O)(=O)O)cc1.C=Cc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C8H9NO2S.C8H8O3S/c2*1-2-7-3-5-8(6-4-7)12(9,10)11/h2-6H,1H2,(H2,9,10,11);2-6H,1H2,(H,9,10,11)
InChIKeyHKMHOJIITSESTG-UHFFFAOYSA-N
XLogP2.55
TPSA114.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-ethenylbenzenesulfonamide;4-ethenylbenzenesulfonic acid?
The IUPAC name of 4-ethenylbenzenesulfonamide;4-ethenylbenzenesulfonic acid (CID 88633665) is 4-ethenylbenzenesulfonamide;4-ethenylbenzenesulfonic acid.
What is the SMILES notation for 4-ethenylbenzenesulfonamide;4-ethenylbenzenesulfonic acid?
The canonical SMILES for 4-ethenylbenzenesulfonamide;4-ethenylbenzenesulfonic acid is C=Cc1ccc(S(=O)(=O)O)cc1.C=Cc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-ethenylbenzenesulfonamide;4-ethenylbenzenesulfonic acid?
The InChIKey is HKMHOJIITSESTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2S.C8H8O3S/c2*1-2-7-3-5-8(6-4-7)12(9,10)11/h2-6H,1H2,(H2,9,10,11);2-6H,1H2,(H,9,10,11).
What are the key properties of 4-ethenylbenzenesulfonamide;4-ethenylbenzenesulfonic acid?
4-ethenylbenzenesulfonamide;4-ethenylbenzenesulfonic acid has a molecular weight of 367.45 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenylbenzenesulfonamide;4-ethenylbenzenesulfonic acid is sourced from PubChem (CID 88633665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).