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

C16H15BrN2O3S — CID 51333544

IUPAC(E)-N-(4-bromophenyl)-3-[4-(methanesulfonamido)phenyl]prop-2-enamide
SMILESCS(=O)(=O)Nc1ccc(/C=C/C(=O)Nc2ccc(Br)cc2)cc1
InChIInChI=1S/C16H15BrN2O3S/c1-23(21,22)19-15-7-2-12(3-8-15)4-11-16(20)18-14-9-5-13(17)6-10-14/h2-11,19H,1H3,(H,18,20)/b11-4+
InChIKeySTVVWMBOEBXBPP-NYYWCZLTSA-N
MW395.28 g/mol
LogP3.47
Rot. Bonds5

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

(E)-N-(4-bromophenyl)-3-[4-(methanesulfonamido)phenyl]prop-2-enamide (PubChem CID 51333544) has the molecular formula C16H15BrN2O3S and a molecular weight of 395.28 g/mol. Its IUPAC name is (E)-N-(4-bromophenyl)-3-[4-(methanesulfonamido)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(4-bromophenyl)-3-[4-(methanesulfonamido)phenyl]prop-2-enamide
PubChem CID51333544
Molecular FormulaC16H15BrN2O3S
Molecular Weight395.28 g/mol
Exact Mass394.00
IUPAC Name(E)-N-(4-bromophenyl)-3-[4-(methanesulfonamido)phenyl]prop-2-enamide
SMILESCS(=O)(=O)Nc1ccc(/C=C/C(=O)Nc2ccc(Br)cc2)cc1
InChIInChI=1S/C16H15BrN2O3S/c1-23(21,22)19-15-7-2-12(3-8-15)4-11-16(20)18-14-9-5-13(17)6-10-14/h2-11,19H,1H3,(H,18,20)/b11-4+
InChIKeySTVVWMBOEBXBPP-NYYWCZLTSA-N
XLogP3.47
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.28
LogP ≤ 53.47
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-(4-bromo-3-methylphenyl)-3-[4-(methanesulfonamido)phenyl]prop-2-enamide
CID 55510786
(E)-N-(2-chlorophenyl)-3-[4-(methanesulfonamido)phenyl]prop-2-enamide
CID 55511273
(E)-N-(1,3-benzodioxol-5-yl)-3-[4-(methanesulfonamido)phenyl]prop-2-enamide
CID 31223315
(E)-N-(2,4-dimethylphenyl)-3-[4-(methanesulfonamido)phenyl]prop-2-enamide
CID 31244061
3-(4-bromophenyl)-N-[3-[3-(4-bromophenyl)prop-2-enoylamino]phenyl]prop-2-enamide
CID 4198412
(E)-N-(2,4-dichlorophenyl)-3-[4-(methanesulfonamido)phenyl]prop-2-enamide
CID 31244745
3-(4-bromophenyl)-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]prop-2-enamide
CID 1012163
(E)-3-(4-bromophenyl)-N-(3,4-dimethoxyphenyl)prop-2-enamide
CID 26364650
N-[4-[(E)-3-oxo-3-[2-(2,3,4,5,6-pentafluorophenyl)hydrazinyl]prop-1-enyl]phenyl]methanesulfonamide
CID 35619967
propyl 4-[3-(4-bromophenyl)prop-2-enoylamino]benzoate
CID 2930689
(E)-N-(1-acetyl-2,3-dihydroindol-5-yl)-3-[4-(methanesulfonamido)phenyl]prop-2-enamide
CID 30296698
(E)-N-[2-(difluoromethoxy)phenyl]-3-[4-(methanesulfonamido)phenyl]prop-2-enamide
CID 37313804

Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-bromophenyl)-3-[4-(methanesulfonamido)phenyl]prop-2-enamide?
The IUPAC name of (E)-N-(4-bromophenyl)-3-[4-(methanesulfonamido)phenyl]prop-2-enamide (CID 51333544) is (E)-N-(4-bromophenyl)-3-[4-(methanesulfonamido)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-(4-bromophenyl)-3-[4-(methanesulfonamido)phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-(4-bromophenyl)-3-[4-(methanesulfonamido)phenyl]prop-2-enamide is CS(=O)(=O)Nc1ccc(/C=C/C(=O)Nc2ccc(Br)cc2)cc1.
What is the InChIKey of (E)-N-(4-bromophenyl)-3-[4-(methanesulfonamido)phenyl]prop-2-enamide?
The InChIKey is STVVWMBOEBXBPP-NYYWCZLTSA-N. The full InChI is InChI=1S/C16H15BrN2O3S/c1-23(21,22)19-15-7-2-12(3-8-15)4-11-16(20)18-14-9-5-13(17)6-10-14/h2-11,19H,1H3,(H,18,20)/b11-4+.
What are the key properties of (E)-N-(4-bromophenyl)-3-[4-(methanesulfonamido)phenyl]prop-2-enamide?
(E)-N-(4-bromophenyl)-3-[4-(methanesulfonamido)phenyl]prop-2-enamide has a molecular weight of 395.28 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-bromophenyl)-3-[4-(methanesulfonamido)phenyl]prop-2-enamide is sourced from PubChem (CID 51333544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).