4-amino-2-(ethenylamino)benzenesulfonamide

C8H11N3O2S — CID 135243336

IUPAC4-amino-2-(ethenylamino)benzenesulfonamide
SMILESC=CNc1cc(N)ccc1S(N)(=O)=O
InChIInChI=1S/C8H11N3O2S/c1-2-11-7-5-6(9)3-4-8(7)14(10,12)13/h2-5,11H,1,9H2,(H2,10,12,13)
InChIKeyIJVGMPFVAIETJV-UHFFFAOYSA-N
MW213.26 g/mol
LogP0.47
Rot. Bonds3

About 4-amino-2-(ethenylamino)benzenesulfonamide

4-amino-2-(ethenylamino)benzenesulfonamide (PubChem CID 135243336) has the molecular formula C8H11N3O2S and a molecular weight of 213.26 g/mol. Its IUPAC name is 4-amino-2-(ethenylamino)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2-(ethenylamino)benzenesulfonamide
PubChem CID135243336
Molecular FormulaC8H11N3O2S
Molecular Weight213.26 g/mol
Exact Mass213.06
IUPAC Name4-amino-2-(ethenylamino)benzenesulfonamide
SMILESC=CNc1cc(N)ccc1S(N)(=O)=O
InChIInChI=1S/C8H11N3O2S/c1-2-11-7-5-6(9)3-4-8(7)14(10,12)13/h2-5,11H,1,9H2,(H2,10,12,13)
InChIKeyIJVGMPFVAIETJV-UHFFFAOYSA-N
XLogP0.47
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2-chlorobenzenesulfonamide
CID 12533522
2-(5-amino-2-chloroanilino)benzenesulfonamide
CID 54903074
5-amino-2-(2-but-3-enoxyethylamino)benzenesulfonamide
CID 106394307
5-amino-2-(2,2-dimethylhydrazinyl)benzenesulfonamide
CID 83013156
4-amino-2-(trifluoromethyl)benzenesulfonamide
CID 10610060
5-amino-2-(4-aminophenyl)benzenesulfonamide
CID 102079717
5-amino-2-(4-amino-2-hydroxyphenyl)sulfonylphenol
CID 504331
[4-amino-2-(prop-2-enylamino)phenyl] methanesulfonate
CID 123228750
5-amino-2-(2-ethylsulfinylethylamino)benzenesulfonamide
CID 113494452
2-acetamido-4-aminobenzenesulfonic acid
CID 19766995
5-amino-2-(methylaminomethyl)benzenesulfonamide
CID 56998580
2-amino-4-(4-aminophenyl)benzenesulfonamide;methane
CID 70397114

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(ethenylamino)benzenesulfonamide?
The IUPAC name of 4-amino-2-(ethenylamino)benzenesulfonamide (CID 135243336) is 4-amino-2-(ethenylamino)benzenesulfonamide.
What is the SMILES notation for 4-amino-2-(ethenylamino)benzenesulfonamide?
The canonical SMILES for 4-amino-2-(ethenylamino)benzenesulfonamide is C=CNc1cc(N)ccc1S(N)(=O)=O.
What is the InChIKey of 4-amino-2-(ethenylamino)benzenesulfonamide?
The InChIKey is IJVGMPFVAIETJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2S/c1-2-11-7-5-6(9)3-4-8(7)14(10,12)13/h2-5,11H,1,9H2,(H2,10,12,13).
What are the key properties of 4-amino-2-(ethenylamino)benzenesulfonamide?
4-amino-2-(ethenylamino)benzenesulfonamide has a molecular weight of 213.26 g/mol, XLogP of 0.47, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(ethenylamino)benzenesulfonamide is sourced from PubChem (CID 135243336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).