(E)-3-(4-fluorophenyl)-N-[2-(methanesulfonamido)phenyl]prop-2-enamide

C16H15FN2O3S — CID 35368224

IUPAC(E)-3-(4-fluorophenyl)-N-[2-(methanesulfonamido)phenyl]prop-2-enamide
SMILESCS(=O)(=O)Nc1ccccc1NC(=O)/C=C/c1ccc(F)cc1
InChIInChI=1S/C16H15FN2O3S/c1-23(21,22)19-15-5-3-2-4-14(15)18-16(20)11-8-12-6-9-13(17)10-7-12/h2-11,19H,1H3,(H,18,20)/b11-8+
InChIKeyFSOLAHOGVQJKAT-DHZHZOJOSA-N
MW334.37 g/mol
LogP2.85
Rot. Bonds5

About (E)-3-(4-fluorophenyl)-N-[2-(methanesulfonamido)phenyl]prop-2-enamide

(E)-3-(4-fluorophenyl)-N-[2-(methanesulfonamido)phenyl]prop-2-enamide (PubChem CID 35368224) has the molecular formula C16H15FN2O3S and a molecular weight of 334.37 g/mol. Its IUPAC name is (E)-3-(4-fluorophenyl)-N-[2-(methanesulfonamido)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-fluorophenyl)-N-[2-(methanesulfonamido)phenyl]prop-2-enamide
PubChem CID35368224
Molecular FormulaC16H15FN2O3S
Molecular Weight334.37 g/mol
Exact Mass334.08
IUPAC Name(E)-3-(4-fluorophenyl)-N-[2-(methanesulfonamido)phenyl]prop-2-enamide
SMILESCS(=O)(=O)Nc1ccccc1NC(=O)/C=C/c1ccc(F)cc1
InChIInChI=1S/C16H15FN2O3S/c1-23(21,22)19-15-5-3-2-4-14(15)18-16(20)11-8-12-6-9-13(17)10-7-12/h2-11,19H,1H3,(H,18,20)/b11-8+
InChIKeyFSOLAHOGVQJKAT-DHZHZOJOSA-N
XLogP2.85
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 52.85
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

3-(4-fluorophenyl)-N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]prop-2-enamide
CID 4105329
(E)-3-(3,4-dichlorophenyl)-N-[2-(methanesulfonamido)phenyl]prop-2-enamide
CID 35368313
(E)-3-(4-fluorophenyl)-N-(2-methylphenyl)prop-2-enamide
CID 875151
N-(2-fluorophenyl)-3-(4-fluorophenyl)prop-2-enamide
CID 882978
3-(4-fluorophenyl)-N-(2-methylsulfanylphenyl)prop-2-enamide
CID 4798657
3-(4-fluorophenyl)-N-(2-methoxyphenyl)prop-2-enamide
CID 4047659
N-(2-chlorophenyl)-3-(4-fluorophenyl)prop-2-enamide
CID 875066
(E)-N-(2-chlorophenyl)-3-[4-(methanesulfonamido)phenyl]prop-2-enamide
CID 55511273
(E)-N-[2-(difluoromethoxy)phenyl]-3-[4-(methanesulfonamido)phenyl]prop-2-enamide
CID 37313804
(E)-3-(4-fluorophenyl)-N-(2-methyl-3-pyridinyl)prop-2-enamide
CID 75408108
4-fluoro-N-[2-(methanesulfonamido)phenyl]benzamide
CID 35368090
(E)-3-(4-fluorophenyl)-N-[2-methyl-3-(propylsulfonylamino)phenyl]prop-2-enamide
CID 47078775

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-fluorophenyl)-N-[2-(methanesulfonamido)phenyl]prop-2-enamide?
The IUPAC name of (E)-3-(4-fluorophenyl)-N-[2-(methanesulfonamido)phenyl]prop-2-enamide (CID 35368224) is (E)-3-(4-fluorophenyl)-N-[2-(methanesulfonamido)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(4-fluorophenyl)-N-[2-(methanesulfonamido)phenyl]prop-2-enamide?
The canonical SMILES for (E)-3-(4-fluorophenyl)-N-[2-(methanesulfonamido)phenyl]prop-2-enamide is CS(=O)(=O)Nc1ccccc1NC(=O)/C=C/c1ccc(F)cc1.
What is the InChIKey of (E)-3-(4-fluorophenyl)-N-[2-(methanesulfonamido)phenyl]prop-2-enamide?
The InChIKey is FSOLAHOGVQJKAT-DHZHZOJOSA-N. The full InChI is InChI=1S/C16H15FN2O3S/c1-23(21,22)19-15-5-3-2-4-14(15)18-16(20)11-8-12-6-9-13(17)10-7-12/h2-11,19H,1H3,(H,18,20)/b11-8+.
What are the key properties of (E)-3-(4-fluorophenyl)-N-[2-(methanesulfonamido)phenyl]prop-2-enamide?
(E)-3-(4-fluorophenyl)-N-[2-(methanesulfonamido)phenyl]prop-2-enamide has a molecular weight of 334.37 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-fluorophenyl)-N-[2-(methanesulfonamido)phenyl]prop-2-enamide is sourced from PubChem (CID 35368224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).