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

C16H14Cl2N2O3S — CID 31244745

IUPAC(E)-N-(2,4-dichlorophenyl)-3-[4-(methanesulfonamido)phenyl]prop-2-enamide
SMILESCS(=O)(=O)Nc1ccc(/C=C/C(=O)Nc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C16H14Cl2N2O3S/c1-24(22,23)20-13-6-2-11(3-7-13)4-9-16(21)19-15-8-5-12(17)10-14(15)18/h2-10,20H,1H3,(H,19,21)/b9-4+
InChIKeySGDDODLPLWQUPJ-RUDMXATFSA-N
MW385.27 g/mol
LogP4.02
Rot. Bonds5

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

(E)-N-(2,4-dichlorophenyl)-3-[4-(methanesulfonamido)phenyl]prop-2-enamide (PubChem CID 31244745) has the molecular formula C16H14Cl2N2O3S and a molecular weight of 385.27 g/mol. Its IUPAC name is (E)-N-(2,4-dichlorophenyl)-3-[4-(methanesulfonamido)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2,4-dichlorophenyl)-3-[4-(methanesulfonamido)phenyl]prop-2-enamide
PubChem CID31244745
Molecular FormulaC16H14Cl2N2O3S
Molecular Weight385.27 g/mol
Exact Mass384.01
IUPAC Name(E)-N-(2,4-dichlorophenyl)-3-[4-(methanesulfonamido)phenyl]prop-2-enamide
SMILESCS(=O)(=O)Nc1ccc(/C=C/C(=O)Nc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C16H14Cl2N2O3S/c1-24(22,23)20-13-6-2-11(3-7-13)4-9-16(21)19-15-8-5-12(17)10-14(15)18/h2-10,20H,1H3,(H,19,21)/b9-4+
InChIKeySGDDODLPLWQUPJ-RUDMXATFSA-N
XLogP4.02
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.27
LogP ≤ 54.02
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

(E)-N-(2-chlorophenyl)-3-[4-(methanesulfonamido)phenyl]prop-2-enamide
CID 55511273
(E)-3-(4-bromophenyl)-N-(2,4-dichlorophenyl)prop-2-enamide
CID 1290272
(E)-N-(4-chloro-2,5-dimethoxyphenyl)-3-[4-(methanesulfonamido)phenyl]prop-2-enamide
CID 30296515
(E)-N-(2,4-dimethylphenyl)-3-[4-(methanesulfonamido)phenyl]prop-2-enamide
CID 31244061
(E)-N-(4-bromophenyl)-3-[4-(methanesulfonamido)phenyl]prop-2-enamide
CID 51333544
3-(4-butoxyphenyl)-N-(2,4-dichlorophenyl)prop-2-enamide
CID 4088773
(E)-3-(3-chloro-4-methylphenyl)-N-[4-fluoro-3-(methanesulfonamido)phenyl]prop-2-enamide
CID 24659674
3-(4-chlorophenyl)-N-(2,5-dichlorophenyl)prop-2-enamide
CID 3324390
(E)-3-[4-[(2,4-dichlorophenyl)sulfonylamino]phenyl]-N-hydroxyprop-2-enamide
CID 22986769
3-[4-[(2,4-dichlorophenyl)sulfonylamino]phenyl]-N-hydroxyprop-2-enamide
CID 74014269
(E)-3-(4-chlorophenyl)-N-[(2,4-dichlorophenyl)carbamothioyl]prop-2-enamide
CID 2209824
(E)-3-(3,4-dichlorophenyl)-N-[2-(methanesulfonamido)phenyl]prop-2-enamide
CID 35368313

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2,4-dichlorophenyl)-3-[4-(methanesulfonamido)phenyl]prop-2-enamide?
The IUPAC name of (E)-N-(2,4-dichlorophenyl)-3-[4-(methanesulfonamido)phenyl]prop-2-enamide (CID 31244745) is (E)-N-(2,4-dichlorophenyl)-3-[4-(methanesulfonamido)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-(2,4-dichlorophenyl)-3-[4-(methanesulfonamido)phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-(2,4-dichlorophenyl)-3-[4-(methanesulfonamido)phenyl]prop-2-enamide is CS(=O)(=O)Nc1ccc(/C=C/C(=O)Nc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of (E)-N-(2,4-dichlorophenyl)-3-[4-(methanesulfonamido)phenyl]prop-2-enamide?
The InChIKey is SGDDODLPLWQUPJ-RUDMXATFSA-N. The full InChI is InChI=1S/C16H14Cl2N2O3S/c1-24(22,23)20-13-6-2-11(3-7-13)4-9-16(21)19-15-8-5-12(17)10-14(15)18/h2-10,20H,1H3,(H,19,21)/b9-4+.
What are the key properties of (E)-N-(2,4-dichlorophenyl)-3-[4-(methanesulfonamido)phenyl]prop-2-enamide?
(E)-N-(2,4-dichlorophenyl)-3-[4-(methanesulfonamido)phenyl]prop-2-enamide has a molecular weight of 385.27 g/mol, XLogP of 4.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2,4-dichlorophenyl)-3-[4-(methanesulfonamido)phenyl]prop-2-enamide is sourced from PubChem (CID 31244745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).