3-(2-fluorophenyl)-N-(4-methoxy-3-sulfamoylphenyl)but-2-enamide

C17H17FN2O4S — CID 76869379

IUPAC3-(2-fluorophenyl)-N-(4-methoxy-3-sulfamoylphenyl)but-2-enamide
SMILESCOc1ccc(NC(=O)C=C(C)c2ccccc2F)cc1S(N)(=O)=O
InChIInChI=1S/C17H17FN2O4S/c1-11(13-5-3-4-6-14(13)18)9-17(21)20-12-7-8-15(24-2)16(10-12)25(19,22)23/h3-10H,1-2H3,(H,20,21)(H2,19,22,23)
InChIKeyIIFYMRQADJPRSL-UHFFFAOYSA-N
MW364.40 g/mol
LogP2.52
Rot. Bonds5

About 3-(2-fluorophenyl)-N-(4-methoxy-3-sulfamoylphenyl)but-2-enamide

3-(2-fluorophenyl)-N-(4-methoxy-3-sulfamoylphenyl)but-2-enamide (PubChem CID 76869379) has the molecular formula C17H17FN2O4S and a molecular weight of 364.40 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-N-(4-methoxy-3-sulfamoylphenyl)but-2-enamide.

Molecular Properties

Compound Name3-(2-fluorophenyl)-N-(4-methoxy-3-sulfamoylphenyl)but-2-enamide
PubChem CID76869379
Molecular FormulaC17H17FN2O4S
Molecular Weight364.40 g/mol
Exact Mass364.09
IUPAC Name3-(2-fluorophenyl)-N-(4-methoxy-3-sulfamoylphenyl)but-2-enamide
SMILESCOc1ccc(NC(=O)C=C(C)c2ccccc2F)cc1S(N)(=O)=O
InChIInChI=1S/C17H17FN2O4S/c1-11(13-5-3-4-6-14(13)18)9-17(21)20-12-7-8-15(24-2)16(10-12)25(19,22)23/h3-10H,1-2H3,(H,20,21)(H2,19,22,23)
InChIKeyIIFYMRQADJPRSL-UHFFFAOYSA-N
XLogP2.52
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(Z)-N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-(2-fluorophenyl)but-2-enamide
CID 60575699
3-(2-fluorophenyl)-N-(4-methoxy-3-sulfamoylphenyl)propanamide
CID 9428553
5-[(E)-3-[2-(2-fluorobenzoyl)hydrazinyl]-3-oxoprop-1-enyl]-2-methoxybenzenesulfonamide
CID 47035309
2-(4-fluorobenzoyl)-N-(4-methoxy-3-sulfamoylphenyl)benzamide
CID 55551358
(E)-3-(3-methoxyphenyl)-N-(4-methoxy-3-sulfamoylphenyl)prop-2-enamide
CID 24634483
N-(4-methoxy-3-sulfamoylphenyl)-2,2-dimethylpropanamide
CID 43082414
3,5-dichloro-N-(4-methoxy-3-sulfamoylphenyl)benzamide
CID 26929610
N-(4-methoxy-3-sulfamoylphenyl)quinoline-2-carboxamide
CID 4789220
4-methoxy-N-(4-methoxy-3-sulfamoylphenyl)butanamide
CID 47245842
N-(4-methoxy-3-sulfamoylphenyl)thiadiazole-4-carboxamide
CID 61068916
4-(4-chlorophenyl)-N-(4-methoxy-3-sulfamoylphenyl)butanamide
CID 55788529
N-(4-methoxy-3-sulfamoylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 78611118

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-N-(4-methoxy-3-sulfamoylphenyl)but-2-enamide?
The IUPAC name of 3-(2-fluorophenyl)-N-(4-methoxy-3-sulfamoylphenyl)but-2-enamide (CID 76869379) is 3-(2-fluorophenyl)-N-(4-methoxy-3-sulfamoylphenyl)but-2-enamide.
What is the SMILES notation for 3-(2-fluorophenyl)-N-(4-methoxy-3-sulfamoylphenyl)but-2-enamide?
The canonical SMILES for 3-(2-fluorophenyl)-N-(4-methoxy-3-sulfamoylphenyl)but-2-enamide is COc1ccc(NC(=O)C=C(C)c2ccccc2F)cc1S(N)(=O)=O.
What is the InChIKey of 3-(2-fluorophenyl)-N-(4-methoxy-3-sulfamoylphenyl)but-2-enamide?
The InChIKey is IIFYMRQADJPRSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O4S/c1-11(13-5-3-4-6-14(13)18)9-17(21)20-12-7-8-15(24-2)16(10-12)25(19,22)23/h3-10H,1-2H3,(H,20,21)(H2,19,22,23).
What are the key properties of 3-(2-fluorophenyl)-N-(4-methoxy-3-sulfamoylphenyl)but-2-enamide?
3-(2-fluorophenyl)-N-(4-methoxy-3-sulfamoylphenyl)but-2-enamide has a molecular weight of 364.40 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-N-(4-methoxy-3-sulfamoylphenyl)but-2-enamide is sourced from PubChem (CID 76869379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).