3-(2,6-difluorophenyl)-N-(3,4-dimethoxyphenyl)sulfonylprop-2-enamide

C17H15F2NO5S — CID 91942457

IUPAC3-(2,6-difluorophenyl)-N-(3,4-dimethoxyphenyl)sulfonylprop-2-enamide
SMILESCOc1ccc(S(=O)(=O)NC(=O)C=Cc2c(F)cccc2F)cc1OC
InChIInChI=1S/C17H15F2NO5S/c1-24-15-8-6-11(10-16(15)25-2)26(22,23)20-17(21)9-7-12-13(18)4-3-5-14(12)19/h3-10H,1-2H3,(H,20,21)
InChIKeyBTIUZHLBPUXBPK-UHFFFAOYSA-N
MW383.37 g/mol
LogP2.50
Rot. Bonds6

About 3-(2,6-difluorophenyl)-N-(3,4-dimethoxyphenyl)sulfonylprop-2-enamide

3-(2,6-difluorophenyl)-N-(3,4-dimethoxyphenyl)sulfonylprop-2-enamide (PubChem CID 91942457) has the molecular formula C17H15F2NO5S and a molecular weight of 383.37 g/mol. Its IUPAC name is 3-(2,6-difluorophenyl)-N-(3,4-dimethoxyphenyl)sulfonylprop-2-enamide.

Molecular Properties

Compound Name3-(2,6-difluorophenyl)-N-(3,4-dimethoxyphenyl)sulfonylprop-2-enamide
PubChem CID91942457
Molecular FormulaC17H15F2NO5S
Molecular Weight383.37 g/mol
Exact Mass383.06
IUPAC Name3-(2,6-difluorophenyl)-N-(3,4-dimethoxyphenyl)sulfonylprop-2-enamide
SMILESCOc1ccc(S(=O)(=O)NC(=O)C=Cc2c(F)cccc2F)cc1OC
InChIInChI=1S/C17H15F2NO5S/c1-24-15-8-6-11(10-16(15)25-2)26(22,23)20-17(21)9-7-12-13(18)4-3-5-14(12)19/h3-10H,1-2H3,(H,20,21)
InChIKeyBTIUZHLBPUXBPK-UHFFFAOYSA-N
XLogP2.50
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.37
LogP ≤ 52.50
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

(E)-N-(3,4-dimethoxyphenyl)sulfonyl-3-(5-methylfuran-2-yl)prop-2-enamide
CID 75401971
N-(3,4-dimethoxyphenyl)sulfonyl-3-fluorobenzamide
CID 75401968
(E)-N-[3-(trifluoromethyl)phenyl]sulfonyl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 39846619
(E)-3-(2,6-difluorophenyl)-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide
CID 46489533
(1E,6E)-1,7-bis(2-fluoro-6-methoxyphenyl)hepta-1,6-diene-3,5-dione
CID 123367153
3-(2,6-difluorophenyl)-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]prop-2-enamide
CID 55797709
(2R)-N-(3,4-dimethoxyphenyl)sulfonyl-2-methyl-3-methylsulfanylpropanamide
CID 95177968
3-[4-[(3,4-dimethoxyphenyl)sulfonylamino]phenyl]prop-2-enoic acid
CID 67019607
N-(3,4-dimethoxyphenyl)sulfonyl-3-methylbutanamide
CID 47115056
3-(2-fluoro-6-methoxyphenyl)prop-2-enoic acid
CID 53401642
(E)-3-(2-chloro-6-fluorophenyl)-N-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 27666802
N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3-(2-fluorophenyl)prop-2-enamide
CID 91942392

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-difluorophenyl)-N-(3,4-dimethoxyphenyl)sulfonylprop-2-enamide?
The IUPAC name of 3-(2,6-difluorophenyl)-N-(3,4-dimethoxyphenyl)sulfonylprop-2-enamide (CID 91942457) is 3-(2,6-difluorophenyl)-N-(3,4-dimethoxyphenyl)sulfonylprop-2-enamide.
What is the SMILES notation for 3-(2,6-difluorophenyl)-N-(3,4-dimethoxyphenyl)sulfonylprop-2-enamide?
The canonical SMILES for 3-(2,6-difluorophenyl)-N-(3,4-dimethoxyphenyl)sulfonylprop-2-enamide is COc1ccc(S(=O)(=O)NC(=O)C=Cc2c(F)cccc2F)cc1OC.
What is the InChIKey of 3-(2,6-difluorophenyl)-N-(3,4-dimethoxyphenyl)sulfonylprop-2-enamide?
The InChIKey is BTIUZHLBPUXBPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2NO5S/c1-24-15-8-6-11(10-16(15)25-2)26(22,23)20-17(21)9-7-12-13(18)4-3-5-14(12)19/h3-10H,1-2H3,(H,20,21).
What are the key properties of 3-(2,6-difluorophenyl)-N-(3,4-dimethoxyphenyl)sulfonylprop-2-enamide?
3-(2,6-difluorophenyl)-N-(3,4-dimethoxyphenyl)sulfonylprop-2-enamide has a molecular weight of 383.37 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-difluorophenyl)-N-(3,4-dimethoxyphenyl)sulfonylprop-2-enamide is sourced from PubChem (CID 91942457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).