(E)-N-(4-bromophenyl)sulfonyl-3-(4-methoxyphenyl)prop-2-enamide

C16H14BrNO4S — CID 56661534

IUPAC(E)-N-(4-bromophenyl)sulfonyl-3-(4-methoxyphenyl)prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)NS(=O)(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C16H14BrNO4S/c1-22-14-7-2-12(3-8-14)4-11-16(19)18-23(20,21)15-9-5-13(17)6-10-15/h2-11H,1H3,(H,18,19)/b11-4+
InChIKeyZKHJJRMCSCFZQU-NYYWCZLTSA-N
MW396.26 g/mol
LogP2.98
Rot. Bonds5

About (E)-N-(4-bromophenyl)sulfonyl-3-(4-methoxyphenyl)prop-2-enamide

(E)-N-(4-bromophenyl)sulfonyl-3-(4-methoxyphenyl)prop-2-enamide (PubChem CID 56661534) has the molecular formula C16H14BrNO4S and a molecular weight of 396.26 g/mol. Its IUPAC name is (E)-N-(4-bromophenyl)sulfonyl-3-(4-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(4-bromophenyl)sulfonyl-3-(4-methoxyphenyl)prop-2-enamide
PubChem CID56661534
Molecular FormulaC16H14BrNO4S
Molecular Weight396.26 g/mol
Exact Mass394.98
IUPAC Name(E)-N-(4-bromophenyl)sulfonyl-3-(4-methoxyphenyl)prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)NS(=O)(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C16H14BrNO4S/c1-22-14-7-2-12(3-8-14)4-11-16(19)18-23(20,21)15-9-5-13(17)6-10-15/h2-11H,1H3,(H,18,19)/b11-4+
InChIKeyZKHJJRMCSCFZQU-NYYWCZLTSA-N
XLogP2.98
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.26
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-N-[2-(4-methoxyphenyl)ethyl]benzenesulfonamide
CID 1092303
(E)-1-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-3-(4-ethoxyphenyl)prop-2-en-1-one
CID 26867530
(E)-1-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-3-(4-methoxyphenyl)prop-2-en-1-one
CID 26867544
4-bromo-N-(4-methoxybenzyl)benzenesulfonamide
CID 986643
4-bromo-N-[(3-methylphenoxy)acetyl]benzenesulfonamide
CID 1034415
(E)-N-(4-fluorophenyl)sulfonyl-3-(4-methoxyphenyl)prop-2-enamide
CID 56664942
(E)-N-(benzenesulfonyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 56671878
(E)-3-(4-methoxyphenyl)-N-(4-methylphenyl)sulfonylprop-2-enamide
CID 56675264
N-(4-bromophenyl)sulfonyl-2-(4-methoxyphenyl)acetamide
CID 56663334
(E)-3-(1,3-benzodioxol-5-yl)-N-(4-bromophenyl)sulfonylprop-2-enamide
CID 152979738
(E)-N-(4-bromophenyl)sulfonyl-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enamide
CID 155522507
(E)-N-(4-bromophenyl)sulfonyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide
CID 155541598

Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-bromophenyl)sulfonyl-3-(4-methoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(4-bromophenyl)sulfonyl-3-(4-methoxyphenyl)prop-2-enamide (CID 56661534) is (E)-N-(4-bromophenyl)sulfonyl-3-(4-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(4-bromophenyl)sulfonyl-3-(4-methoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(4-bromophenyl)sulfonyl-3-(4-methoxyphenyl)prop-2-enamide is COc1ccc(/C=C/C(=O)NS(=O)(=O)c2ccc(Br)cc2)cc1.
What is the InChIKey of (E)-N-(4-bromophenyl)sulfonyl-3-(4-methoxyphenyl)prop-2-enamide?
The InChIKey is ZKHJJRMCSCFZQU-NYYWCZLTSA-N. The full InChI is InChI=1S/C16H14BrNO4S/c1-22-14-7-2-12(3-8-14)4-11-16(19)18-23(20,21)15-9-5-13(17)6-10-15/h2-11H,1H3,(H,18,19)/b11-4+.
What are the key properties of (E)-N-(4-bromophenyl)sulfonyl-3-(4-methoxyphenyl)prop-2-enamide?
(E)-N-(4-bromophenyl)sulfonyl-3-(4-methoxyphenyl)prop-2-enamide has a molecular weight of 396.26 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-bromophenyl)sulfonyl-3-(4-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 56661534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).