(E)-4-(3-fluorophenyl)-N-[4-(sulfamoylmethyl)phenyl]but-3-enamide

C17H17FN2O3S — CID 75534307

IUPAC(E)-4-(3-fluorophenyl)-N-[4-(sulfamoylmethyl)phenyl]but-3-enamide
SMILESNS(=O)(=O)Cc1ccc(NC(=O)C/C=C/c2cccc(F)c2)cc1
InChIInChI=1S/C17H17FN2O3S/c18-15-5-1-3-13(11-15)4-2-6-17(21)20-16-9-7-14(8-10-16)12-24(19,22)23/h1-5,7-11H,6,12H2,(H,20,21)(H2,19,22,23)/b4-2+
InChIKeyFHBYYLVALLRFNN-DUXPYHPUSA-N
MW348.40 g/mol
LogP2.66
Rot. Bonds6

About (E)-4-(3-fluorophenyl)-N-[4-(sulfamoylmethyl)phenyl]but-3-enamide

(E)-4-(3-fluorophenyl)-N-[4-(sulfamoylmethyl)phenyl]but-3-enamide (PubChem CID 75534307) has the molecular formula C17H17FN2O3S and a molecular weight of 348.40 g/mol. Its IUPAC name is (E)-4-(3-fluorophenyl)-N-[4-(sulfamoylmethyl)phenyl]but-3-enamide.

Molecular Properties

Compound Name(E)-4-(3-fluorophenyl)-N-[4-(sulfamoylmethyl)phenyl]but-3-enamide
PubChem CID75534307
Molecular FormulaC17H17FN2O3S
Molecular Weight348.40 g/mol
Exact Mass348.09
IUPAC Name(E)-4-(3-fluorophenyl)-N-[4-(sulfamoylmethyl)phenyl]but-3-enamide
SMILESNS(=O)(=O)Cc1ccc(NC(=O)C/C=C/c2cccc(F)c2)cc1
InChIInChI=1S/C17H17FN2O3S/c18-15-5-1-3-13(11-15)4-2-6-17(21)20-16-9-7-14(8-10-16)12-24(19,22)23/h1-5,7-11H,6,12H2,(H,20,21)(H2,19,22,23)/b4-2+
InChIKeyFHBYYLVALLRFNN-DUXPYHPUSA-N
XLogP2.66
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[[(E)-4-(3-fluorophenyl)but-3-enoyl]amino]phenyl]thiophene-2-carboxamide
CID 75534311
3-(3-fluorophenyl)-N-[4-(hydroxymethyl)phenyl]prop-2-enamide
CID 77042676
4-amino-N-[4-(sulfamoylmethyl)phenyl]butanamide
CID 43711207
4-fluoro-N-[4-(sulfamoylmethyl)phenyl]benzamide
CID 24632207
4-(3-fluorophenyl)-N-(3-hydroxybutyl)but-3-enamide
CID 111779537
N-(4-ethylphenyl)-N'-(3-fluorophenyl)propanediamide
CID 108954059
2-[4-[[(E)-2-(3-fluorophenyl)ethenyl]carbamoylamino]phenyl]acetic acid
CID 108906208
1-[(E)-2-(3-fluorophenyl)ethenyl]-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 108906290
3-amino-N-[4-(sulfamoylmethyl)phenyl]butanamide;hydrochloride
CID 119701893
tert-butyl N-[3-[4-[[[(E)-3-(3-fluorophenyl)prop-2-enoyl]amino]methyl]anilino]-3-oxopropyl]carbamate
CID 108920707
4-[[(E)-3-(3-fluorophenyl)prop-2-enoyl]amino]benzamide
CID 2677129
1-(4-bromophenyl)-3-[(E)-2-(3-fluorophenyl)ethenyl]urea
CID 108906048

Frequently Asked Questions

What is the IUPAC name of (E)-4-(3-fluorophenyl)-N-[4-(sulfamoylmethyl)phenyl]but-3-enamide?
The IUPAC name of (E)-4-(3-fluorophenyl)-N-[4-(sulfamoylmethyl)phenyl]but-3-enamide (CID 75534307) is (E)-4-(3-fluorophenyl)-N-[4-(sulfamoylmethyl)phenyl]but-3-enamide.
What is the SMILES notation for (E)-4-(3-fluorophenyl)-N-[4-(sulfamoylmethyl)phenyl]but-3-enamide?
The canonical SMILES for (E)-4-(3-fluorophenyl)-N-[4-(sulfamoylmethyl)phenyl]but-3-enamide is NS(=O)(=O)Cc1ccc(NC(=O)C/C=C/c2cccc(F)c2)cc1.
What is the InChIKey of (E)-4-(3-fluorophenyl)-N-[4-(sulfamoylmethyl)phenyl]but-3-enamide?
The InChIKey is FHBYYLVALLRFNN-DUXPYHPUSA-N. The full InChI is InChI=1S/C17H17FN2O3S/c18-15-5-1-3-13(11-15)4-2-6-17(21)20-16-9-7-14(8-10-16)12-24(19,22)23/h1-5,7-11H,6,12H2,(H,20,21)(H2,19,22,23)/b4-2+.
What are the key properties of (E)-4-(3-fluorophenyl)-N-[4-(sulfamoylmethyl)phenyl]but-3-enamide?
(E)-4-(3-fluorophenyl)-N-[4-(sulfamoylmethyl)phenyl]but-3-enamide has a molecular weight of 348.40 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(3-fluorophenyl)-N-[4-(sulfamoylmethyl)phenyl]but-3-enamide is sourced from PubChem (CID 75534307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).