3-(5-bromofuran-2-yl)-N-[4-(difluoromethylsulfonyl)phenyl]prop-2-enamide

C14H10BrF2NO4S — CID 47093671

IUPAC3-(5-bromofuran-2-yl)-N-[4-(difluoromethylsulfonyl)phenyl]prop-2-enamide
SMILESO=C(C=Cc1ccc(Br)o1)Nc1ccc(S(=O)(=O)C(F)F)cc1
InChIInChI=1S/C14H10BrF2NO4S/c15-12-7-3-10(22-12)4-8-13(19)18-9-1-5-11(6-2-9)23(20,21)14(16)17/h1-8,14H,(H,18,19)
InChIKeyLSXOLHOECQNXBU-UHFFFAOYSA-N
MW406.20 g/mol
LogP3.69
Rot. Bonds5

About 3-(5-bromofuran-2-yl)-N-[4-(difluoromethylsulfonyl)phenyl]prop-2-enamide

3-(5-bromofuran-2-yl)-N-[4-(difluoromethylsulfonyl)phenyl]prop-2-enamide (PubChem CID 47093671) has the molecular formula C14H10BrF2NO4S and a molecular weight of 406.20 g/mol. Its IUPAC name is 3-(5-bromofuran-2-yl)-N-[4-(difluoromethylsulfonyl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name3-(5-bromofuran-2-yl)-N-[4-(difluoromethylsulfonyl)phenyl]prop-2-enamide
PubChem CID47093671
Molecular FormulaC14H10BrF2NO4S
Molecular Weight406.20 g/mol
Exact Mass404.95
IUPAC Name3-(5-bromofuran-2-yl)-N-[4-(difluoromethylsulfonyl)phenyl]prop-2-enamide
SMILESO=C(C=Cc1ccc(Br)o1)Nc1ccc(S(=O)(=O)C(F)F)cc1
InChIInChI=1S/C14H10BrF2NO4S/c15-12-7-3-10(22-12)4-8-13(19)18-9-1-5-11(6-2-9)23(20,21)14(16)17/h1-8,14H,(H,18,19)
InChIKeyLSXOLHOECQNXBU-UHFFFAOYSA-N
XLogP3.69
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.20
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(5-bromofuran-2-yl)-N-[4-(difluoromethylsulfonyl)phenyl]prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-3-(5-bromofuran-2-yl)-N-(4-ethylsulfonylphenyl)prop-2-enamide
CID 46693671
(E)-N-[4-(difluoromethylsulfonyl)phenyl]-3-(furan-2-yl)prop-2-enamide
CID 7942006
(E)-3-(5-bromofuran-2-yl)-N-(4-chlorophenyl)prop-2-enamide
CID 2666173
(E)-3-(5-bromofuran-2-yl)-N-(4-propan-2-ylphenyl)prop-2-enamide
CID 2319129
(E)-3-(5-bromofuran-2-yl)-N-[4-(butylcarbamoylsulfamoyl)phenyl]prop-2-enamide
CID 2104502
N-[4-(difluoromethylsulfonyl)phenyl]prop-2-enamide
CID 43616637
3-(5-bromofuran-2-yl)-N-(2,3-dihydro-1H-inden-5-yl)prop-2-enamide
CID 4811542
3-(5-methylfuran-2-yl)-N-(4-sulfamoylphenyl)prop-2-enamide
CID 712925
3-(5-bromofuran-2-yl)-N-[2-chloro-5-[(4-chlorophenyl)sulfamoyl]phenyl]prop-2-enamide
CID 4291160
(E)-3-(5-bromofuran-2-yl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)prop-2-enamide
CID 2313865
4-[3-(5-bromofuran-2-yl)prop-2-enoylamino]pyridine-2-carboxylic acid
CID 77003492
(E)-3-(5-bromofuran-2-yl)-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]prop-2-enamide
CID 26756004

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromofuran-2-yl)-N-[4-(difluoromethylsulfonyl)phenyl]prop-2-enamide?
The IUPAC name of 3-(5-bromofuran-2-yl)-N-[4-(difluoromethylsulfonyl)phenyl]prop-2-enamide (CID 47093671) is 3-(5-bromofuran-2-yl)-N-[4-(difluoromethylsulfonyl)phenyl]prop-2-enamide.
What is the SMILES notation for 3-(5-bromofuran-2-yl)-N-[4-(difluoromethylsulfonyl)phenyl]prop-2-enamide?
The canonical SMILES for 3-(5-bromofuran-2-yl)-N-[4-(difluoromethylsulfonyl)phenyl]prop-2-enamide is O=C(C=Cc1ccc(Br)o1)Nc1ccc(S(=O)(=O)C(F)F)cc1.
What is the InChIKey of 3-(5-bromofuran-2-yl)-N-[4-(difluoromethylsulfonyl)phenyl]prop-2-enamide?
The InChIKey is LSXOLHOECQNXBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrF2NO4S/c15-12-7-3-10(22-12)4-8-13(19)18-9-1-5-11(6-2-9)23(20,21)14(16)17/h1-8,14H,(H,18,19).
What are the key properties of 3-(5-bromofuran-2-yl)-N-[4-(difluoromethylsulfonyl)phenyl]prop-2-enamide?
3-(5-bromofuran-2-yl)-N-[4-(difluoromethylsulfonyl)phenyl]prop-2-enamide has a molecular weight of 406.20 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromofuran-2-yl)-N-[4-(difluoromethylsulfonyl)phenyl]prop-2-enamide is sourced from PubChem (CID 47093671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).