(E)-N-[4-(acetylsulfamoyl)phenyl]-3-(2-chloro-6-fluorophenyl)prop-2-enamide

C17H14ClFN2O4S — CID 6261465

IUPAC(E)-N-[4-(acetylsulfamoyl)phenyl]-3-(2-chloro-6-fluorophenyl)prop-2-enamide
SMILESCC(=O)NS(=O)(=O)c1ccc(NC(=O)/C=C/c2c(F)cccc2Cl)cc1
InChIInChI=1S/C17H14ClFN2O4S/c1-11(22)21-26(24,25)13-7-5-12(6-8-13)20-17(23)10-9-14-15(18)3-2-4-16(14)19/h2-10H,1H3,(H,20,23)(H,21,22)/b10-9+
InChIKeyRCRQMKIMQRXMBB-MDZDMXLPSA-N
MW396.83 g/mol
LogP2.96
Rot. Bonds5

About (E)-N-[4-(acetylsulfamoyl)phenyl]-3-(2-chloro-6-fluorophenyl)prop-2-enamide

(E)-N-[4-(acetylsulfamoyl)phenyl]-3-(2-chloro-6-fluorophenyl)prop-2-enamide (PubChem CID 6261465) has the molecular formula C17H14ClFN2O4S and a molecular weight of 396.83 g/mol. Its IUPAC name is (E)-N-[4-(acetylsulfamoyl)phenyl]-3-(2-chloro-6-fluorophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[4-(acetylsulfamoyl)phenyl]-3-(2-chloro-6-fluorophenyl)prop-2-enamide
PubChem CID6261465
Molecular FormulaC17H14ClFN2O4S
Molecular Weight396.83 g/mol
Exact Mass396.03
IUPAC Name(E)-N-[4-(acetylsulfamoyl)phenyl]-3-(2-chloro-6-fluorophenyl)prop-2-enamide
SMILESCC(=O)NS(=O)(=O)c1ccc(NC(=O)/C=C/c2c(F)cccc2Cl)cc1
InChIInChI=1S/C17H14ClFN2O4S/c1-11(22)21-26(24,25)13-7-5-12(6-8-13)20-17(23)10-9-14-15(18)3-2-4-16(14)19/h2-10H,1H3,(H,20,23)(H,21,22)/b10-9+
InChIKeyRCRQMKIMQRXMBB-MDZDMXLPSA-N
XLogP2.96
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.83
LogP ≤ 52.96
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

(E)-3-(2-chloro-6-fluorophenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]prop-2-enamide
CID 6176689
(E)-3-(2-chloro-6-fluorophenyl)-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]prop-2-enamide
CID 1291564
(E)-3-(2-chloro-6-fluorophenyl)-N-[3-[[(E)-3-(2-chloro-6-fluorophenyl)prop-2-enoyl]amino]phenyl]prop-2-enamide
CID 6265107
(E)-N-(4-butan-2-ylphenyl)-3-(2-chloro-6-fluorophenyl)prop-2-enamide
CID 6282453
3-(2-chloro-6-fluorophenyl)-N-pyridin-4-ylprop-2-enamide
CID 898451
(E)-3-(2-chloro-6-fluorophenyl)-N-(3,4-dichlorophenyl)prop-2-enamide
CID 6105621
N-[4-(acetylsulfamoyl)phenyl]-3-phenylprop-2-enamide
CID 884609
(E)-N-(3-acetylphenyl)-3-(2-chloro-6-fluorophenyl)prop-2-enamide
CID 896275
(E)-3-(2-chloro-6-fluorophenyl)-N-(3-chloro-4-methylphenyl)prop-2-enamide
CID 6031428
(E)-3-(2-chloro-6-fluorophenyl)-N-(4-ethoxyphenyl)prop-2-enamide
CID 6282671
(E)-N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-3-(2-chloro-6-fluorophenyl)prop-2-enamide
CID 24614374
(E)-N-[4-(acetylsulfamoyl)phenyl]-3-(4-hydroxyphenyl)prop-2-enamide
CID 84552104

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-(acetylsulfamoyl)phenyl]-3-(2-chloro-6-fluorophenyl)prop-2-enamide?
The IUPAC name of (E)-N-[4-(acetylsulfamoyl)phenyl]-3-(2-chloro-6-fluorophenyl)prop-2-enamide (CID 6261465) is (E)-N-[4-(acetylsulfamoyl)phenyl]-3-(2-chloro-6-fluorophenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[4-(acetylsulfamoyl)phenyl]-3-(2-chloro-6-fluorophenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[4-(acetylsulfamoyl)phenyl]-3-(2-chloro-6-fluorophenyl)prop-2-enamide is CC(=O)NS(=O)(=O)c1ccc(NC(=O)/C=C/c2c(F)cccc2Cl)cc1.
What is the InChIKey of (E)-N-[4-(acetylsulfamoyl)phenyl]-3-(2-chloro-6-fluorophenyl)prop-2-enamide?
The InChIKey is RCRQMKIMQRXMBB-MDZDMXLPSA-N. The full InChI is InChI=1S/C17H14ClFN2O4S/c1-11(22)21-26(24,25)13-7-5-12(6-8-13)20-17(23)10-9-14-15(18)3-2-4-16(14)19/h2-10H,1H3,(H,20,23)(H,21,22)/b10-9+.
What are the key properties of (E)-N-[4-(acetylsulfamoyl)phenyl]-3-(2-chloro-6-fluorophenyl)prop-2-enamide?
(E)-N-[4-(acetylsulfamoyl)phenyl]-3-(2-chloro-6-fluorophenyl)prop-2-enamide has a molecular weight of 396.83 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-(acetylsulfamoyl)phenyl]-3-(2-chloro-6-fluorophenyl)prop-2-enamide is sourced from PubChem (CID 6261465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).