3-(5-bromo-2-methoxyphenyl)-N-pyridin-3-ylsulfonylprop-2-enamide

C15H13BrN2O4S — CID 71894423

IUPAC3-(5-bromo-2-methoxyphenyl)-N-pyridin-3-ylsulfonylprop-2-enamide
SMILESCOc1ccc(Br)cc1C=CC(=O)NS(=O)(=O)c1cccnc1
InChIInChI=1S/C15H13BrN2O4S/c1-22-14-6-5-12(16)9-11(14)4-7-15(19)18-23(20,21)13-3-2-8-17-10-13/h2-10H,1H3,(H,18,19)
InChIKeyPKRCWAALSBYMFY-UHFFFAOYSA-N
MW397.25 g/mol
LogP2.37
Rot. Bonds5

About 3-(5-bromo-2-methoxyphenyl)-N-pyridin-3-ylsulfonylprop-2-enamide

3-(5-bromo-2-methoxyphenyl)-N-pyridin-3-ylsulfonylprop-2-enamide (PubChem CID 71894423) has the molecular formula C15H13BrN2O4S and a molecular weight of 397.25 g/mol. Its IUPAC name is 3-(5-bromo-2-methoxyphenyl)-N-pyridin-3-ylsulfonylprop-2-enamide.

Molecular Properties

Compound Name3-(5-bromo-2-methoxyphenyl)-N-pyridin-3-ylsulfonylprop-2-enamide
PubChem CID71894423
Molecular FormulaC15H13BrN2O4S
Molecular Weight397.25 g/mol
Exact Mass395.98
IUPAC Name3-(5-bromo-2-methoxyphenyl)-N-pyridin-3-ylsulfonylprop-2-enamide
SMILESCOc1ccc(Br)cc1C=CC(=O)NS(=O)(=O)c1cccnc1
InChIInChI=1S/C15H13BrN2O4S/c1-22-14-6-5-12(16)9-11(14)4-7-15(19)18-23(20,21)13-3-2-8-17-10-13/h2-10H,1H3,(H,18,19)
InChIKeyPKRCWAALSBYMFY-UHFFFAOYSA-N
XLogP2.37
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.25
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(2-methoxy-5-methylphenyl)-N-pyridin-3-ylsulfonylprop-2-enamide
CID 71894427
(E)-3-(5-bromo-2-methoxyphenyl)-N-pyridin-4-ylprop-2-enamide
CID 41177590
3-(5-bromo-2-methoxyphenyl)-N-phenylprop-2-enamide
CID 4989613
(E)-3-(2,5-dimethoxyphenyl)-N-pyridin-3-ylprop-2-enamide
CID 26592309
(E)-3-(5-bromo-2-methoxyphenyl)-N-(3,4-dimethoxyphenyl)prop-2-enamide
CID 19206457
3-(5-bromo-2-methoxyphenyl)-N-(6-methoxy-3-pyridinyl)prop-2-enamide
CID 74713789
3-(5-bromo-2-methoxyphenyl)-N-(1,3-dihydroxypropan-2-yl)prop-2-enamide
CID 77064958
N-(2-amino-2-oxoethyl)-3-(5-bromo-2-methoxyphenyl)prop-2-enamide
CID 78911973
(2R)-2-[[(E)-3-(5-bromo-2-methoxyphenyl)prop-2-enoyl]amino]-3-hydroxypropanoic acid
CID 80750365
3-(5-bromo-2-methoxyphenyl)-N-(2-propan-2-ylpyrazol-3-yl)prop-2-enamide
CID 78772234
(E)-3-(5-bromo-2-methoxyphenyl)-N-(4-iodophenyl)prop-2-enamide
CID 17111218
N-(4-bromo-2-fluorophenyl)-3-(5-bromo-2-methoxyphenyl)prop-2-enamide
CID 3990613

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-methoxyphenyl)-N-pyridin-3-ylsulfonylprop-2-enamide?
The IUPAC name of 3-(5-bromo-2-methoxyphenyl)-N-pyridin-3-ylsulfonylprop-2-enamide (CID 71894423) is 3-(5-bromo-2-methoxyphenyl)-N-pyridin-3-ylsulfonylprop-2-enamide.
What is the SMILES notation for 3-(5-bromo-2-methoxyphenyl)-N-pyridin-3-ylsulfonylprop-2-enamide?
The canonical SMILES for 3-(5-bromo-2-methoxyphenyl)-N-pyridin-3-ylsulfonylprop-2-enamide is COc1ccc(Br)cc1C=CC(=O)NS(=O)(=O)c1cccnc1.
What is the InChIKey of 3-(5-bromo-2-methoxyphenyl)-N-pyridin-3-ylsulfonylprop-2-enamide?
The InChIKey is PKRCWAALSBYMFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O4S/c1-22-14-6-5-12(16)9-11(14)4-7-15(19)18-23(20,21)13-3-2-8-17-10-13/h2-10H,1H3,(H,18,19).
What are the key properties of 3-(5-bromo-2-methoxyphenyl)-N-pyridin-3-ylsulfonylprop-2-enamide?
3-(5-bromo-2-methoxyphenyl)-N-pyridin-3-ylsulfonylprop-2-enamide has a molecular weight of 397.25 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2-methoxyphenyl)-N-pyridin-3-ylsulfonylprop-2-enamide is sourced from PubChem (CID 71894423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).