CAS 2621-99-0 N-(4-(Aminosulphonyl)phenyl)acrylamide (HCID 75803)

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Basic information

CAS: 2621-99-0
Standard SMILES: C=CC(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIKey: RINSWHLCRAFXEY-UHFFFAOYSA-N
Molecular formula: C9H10N2O3S
Average molar mass: 226.25 g/mol
Monoisotopic mass: 226.04121336

Names & identifiers

Preferred name: N-(4-(Aminosulphonyl)phenyl)acrylamide
IUPAC: N-(4-sulfamoylphenyl)prop-2-enamide
English name: N-[4-(Aminosulfonyl)phenyl]-2-propenamide
Molecular formula: C9H10N2O3S
Molecular weight: 226.25

Names & synonyms

2621-99-0N-(4-sulfamoylphenyl)prop-2-enamiden-(4-sulfamoylphenyl)acrylamideN-(4-(Aminosulphonyl)phenyl)acrylamideN-[4-(Aminosulfonyl)phenyl]-2-propenamideN-(4-Sulfamoyl-phenyl)-acrylamideN-[4-(Aminosulfonyl)phenyl]acrylamidEINECS 220-066-6NSC506350N-[4-(Aminosulfonyl)phenyl]acrylamide2-Propenamide, N-[4-(aminosulfonyl)phenyl]-SCHEMBL202328

Show more names

Phosphoric acid TriazaniumN-(4-Sulfamoylphenyl)-acrylamideN-[4-(aMinosuIfonyI)phenyI]acrylaMideN-[4-(Aminosulfonyl)phenyl]propenamideN-[4-(aminosulphonyl)phenyl]acrylamide

DTXSID60180852N-(p-aminosulfonylphenyl)acrylamideAKOS009075676NSC 506350NSC-506350NS00028055H28752A1-13920

Database identifiers

CAS: 2621-99-0
PubChem CID: 75803
DTXSID: DTXSID60180852

Properties

Computed structural properties

XLogP: 0.6
Topological polar surface area: 97.6 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 15
Formal charge: 0
Complexity: 337

Physicochemical properties

Melting point: 215 °C · 215 °C
Density: 1.387 · 1.387±0.06 g/cm3(Predicted)
pka: 9.89 · 9.89±0.12(Predicted)
InChI: InChI=1S/C9H10N2O3S/c1-2-9(12)11-7-3-5-8(6-4-7)15(10,13)14/h2-6H,1H2,(H,11,12)(H2,10,13,14)
InChIKey: RINSWHLCRAFXEY-UHFFFAOYSA-N
SMILES: C(NC1=CC=C(S(N)(=O)=O)C=C1)(=O)C=C