3-(4-sulfamoylphenyl)but-2-enoic acid

C10H11NO4S — CID 67877813

IUPAC3-(4-sulfamoylphenyl)but-2-enoic acid
SMILESCC(=CC(=O)O)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C10H11NO4S/c1-7(6-10(12)13)8-2-4-9(5-3-8)16(11,14)15/h2-6H,1H3,(H,12,13)(H2,11,14,15)
InChIKeyFSUVNQCAEXWQHG-UHFFFAOYSA-N
MW241.27 g/mol
LogP0.82
Rot. Bonds3

About 3-(4-sulfamoylphenyl)but-2-enoic acid

3-(4-sulfamoylphenyl)but-2-enoic acid (PubChem CID 67877813) has the molecular formula C10H11NO4S and a molecular weight of 241.27 g/mol. Its IUPAC name is 3-(4-sulfamoylphenyl)but-2-enoic acid.

Molecular Properties

Compound Name3-(4-sulfamoylphenyl)but-2-enoic acid
PubChem CID67877813
Molecular FormulaC10H11NO4S
Molecular Weight241.27 g/mol
Exact Mass241.04
IUPAC Name3-(4-sulfamoylphenyl)but-2-enoic acid
SMILESCC(=CC(=O)O)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C10H11NO4S/c1-7(6-10(12)13)8-2-4-9(5-3-8)16(11,14)15/h2-6H,1H3,(H,12,13)(H2,11,14,15)
InChIKeyFSUVNQCAEXWQHG-UHFFFAOYSA-N
XLogP0.82
TPSA97.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(4-iodophenyl)but-2-enoic acid
CID 131527312
(E)-3-(4-formylphenyl)but-2-enoic acid
CID 135376045
4-acetylbenzenesulfonamide;2-oxo-2-(4-sulfamoylphenyl)acetic acid
CID 161079188
4-acetylbenzenesulfonamide;4-aminobenzenesulfonamide
CID 158952098
4-sulfamoylbenzoyl iodide
CID 88945846
4-benzoylbenzenesulfonamide
CID 70209200
potassium 4-sulfamoylbenzoate
CID 23684074
N,N-dimethyl-4-sulfamoylbenzamide
CID 10353728
4-propanoylbenzenesulfonamide
CID 70209431
(E)-3-(3-methylsulfonylphenyl)but-2-enoic acid
CID 83957430
4-(2,2-dimethylpropanoyl)benzenesulfonamide;4-sulfamoylbenzoic acid
CID 159148470
(E)-3-pyridin-4-yl-N-[1-(4-sulfamoylphenyl)ethyl]but-2-enamide
CID 132984944

Frequently Asked Questions

What is the IUPAC name of 3-(4-sulfamoylphenyl)but-2-enoic acid?
The IUPAC name of 3-(4-sulfamoylphenyl)but-2-enoic acid (CID 67877813) is 3-(4-sulfamoylphenyl)but-2-enoic acid.
What is the SMILES notation for 3-(4-sulfamoylphenyl)but-2-enoic acid?
The canonical SMILES for 3-(4-sulfamoylphenyl)but-2-enoic acid is CC(=CC(=O)O)c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 3-(4-sulfamoylphenyl)but-2-enoic acid?
The InChIKey is FSUVNQCAEXWQHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO4S/c1-7(6-10(12)13)8-2-4-9(5-3-8)16(11,14)15/h2-6H,1H3,(H,12,13)(H2,11,14,15).
What are the key properties of 3-(4-sulfamoylphenyl)but-2-enoic acid?
3-(4-sulfamoylphenyl)but-2-enoic acid has a molecular weight of 241.27 g/mol, XLogP of 0.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-sulfamoylphenyl)but-2-enoic acid is sourced from PubChem (CID 67877813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).