(E)-N-(3,4-dichlorophenyl)sulfonyl-3-[3,3-difluoro-1-(naphthalen-2-ylmethyl)-2-oxoindol-7-yl]prop-2-enamide

C28H18Cl2F2N2O4S — CID 46885947

IUPAC(E)-N-(3,4-dichlorophenyl)sulfonyl-3-[3,3-difluoro-1-(naphthalen-2-ylmethyl)-2-oxoindol-7-yl]prop-2-enamide
SMILESO=C(/C=C/c1cccc2c1N(Cc1ccc3ccccc3c1)C(=O)C2(F)F)NS(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C28H18Cl2F2N2O4S/c29-23-12-11-21(15-24(23)30)39(37,38)33-25(35)13-10-19-6-3-7-22-26(19)34(27(36)28(22,31)32)16-17-8-9-18-4-1-2-5-20(18)14-17/h1-15H,16H2,(H,33,35)/b13-10+
InChIKeyFFMXUNLIUHLEMS-JLHYYAGUSA-N
MW587.43 g/mol
LogP6.30
Rot. Bonds6

About (E)-N-(3,4-dichlorophenyl)sulfonyl-3-[3,3-difluoro-1-(naphthalen-2-ylmethyl)-2-oxoindol-7-yl]prop-2-enamide

(E)-N-(3,4-dichlorophenyl)sulfonyl-3-[3,3-difluoro-1-(naphthalen-2-ylmethyl)-2-oxoindol-7-yl]prop-2-enamide (PubChem CID 46885947) has the molecular formula C28H18Cl2F2N2O4S and a molecular weight of 587.43 g/mol. Its IUPAC name is (E)-N-(3,4-dichlorophenyl)sulfonyl-3-[3,3-difluoro-1-(naphthalen-2-ylmethyl)-2-oxoindol-7-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(3,4-dichlorophenyl)sulfonyl-3-[3,3-difluoro-1-(naphthalen-2-ylmethyl)-2-oxoindol-7-yl]prop-2-enamide
PubChem CID46885947
Molecular FormulaC28H18Cl2F2N2O4S
Molecular Weight587.43 g/mol
Exact Mass586.03
IUPAC Name(E)-N-(3,4-dichlorophenyl)sulfonyl-3-[3,3-difluoro-1-(naphthalen-2-ylmethyl)-2-oxoindol-7-yl]prop-2-enamide
SMILESO=C(/C=C/c1cccc2c1N(Cc1ccc3ccccc3c1)C(=O)C2(F)F)NS(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C28H18Cl2F2N2O4S/c29-23-12-11-21(15-24(23)30)39(37,38)33-25(35)13-10-19-6-3-7-22-26(19)34(27(36)28(22,31)32)16-17-8-9-18-4-1-2-5-20(18)14-17/h1-15H,16H2,(H,33,35)/b13-10+
InChIKeyFFMXUNLIUHLEMS-JLHYYAGUSA-N
XLogP6.30
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.43
LogP ≤ 56.30
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

3-(1-(naphthalen-2-ylmethyl)-2-oxoindolin-7-yl)-N-(2,4,5-trifluorophenylsulfonyl)acrylamide
CID 46885432
N-(3,4-difluorophenylsulfonyl)-3-(1-(naphthalen-2-ylmethyl)-2-oxoindolin-7-yl)acrylamide
CID 46885433
N-(3,4-dichlorophenylsulfonyl)-3-(1-(naphthalen-2-ylmethyl)-2-oxoindolin-7-yl)acrylamide
CID 46885434
N-(3-chlorophenylsulfonyl)-3-(1-(naphthalen-2-ylmethyl)-2-oxoindolin-7-yl)acrylamide
CID 46885501
N-(3,4-dichlorophenylsulfonyl)-3-(1-(3,4-difluorobenzyl)-2-oxoindolin-7-yl)acrylamide
CID 46885503
N-(3-chlorophenylsulfonyl)-3-(1-(3,4-difluorobenzyl)-2-oxoindolin-7-yl)acrylamide
CID 46885504
3-(1-(2,4-dichlorobenzyl)-3-methyl-2-oxoindolin-7-yl)-N-(3,4-dichlorophenylsulfonyl)acrylamide
CID 46885649
N-(3,4-dichlorophenylsulfonyl)-3-(1-(naphthalen-2-ylmethyl)-2,3-dioxoindolin-7-yl)acrylamide
CID 46885656
N-(3,4-difluorophenylsulfonyl)-3-(3-methyl-1-(naphthalen-2-ylmethyl)-2-oxoindolin-7-yl)acrylamide
CID 46885687
3-(3-methyl-1-(naphthalen-2-ylmethyl)-2-oxoindolin-7-yl)-N-(2,4,5-trifluorophenylsulfonyl)acrylamide
CID 46885688
N-(3-chlorophenylsulfonyl)-3-(3-methyl-1-(naphthalen-2-ylmethyl)-2-oxoindolin-7-yl)acrylamide
CID 46885732
N-(3,4-dichlorophenylsulfonyl)-3-(3-methyl-1-(naphthalen-2-ylmethyl)-2-oxoindolin-7-yl)acrylamide
CID 46885733

Frequently Asked Questions

What is the IUPAC name of (E)-N-(3,4-dichlorophenyl)sulfonyl-3-[3,3-difluoro-1-(naphthalen-2-ylmethyl)-2-oxoindol-7-yl]prop-2-enamide?
The IUPAC name of (E)-N-(3,4-dichlorophenyl)sulfonyl-3-[3,3-difluoro-1-(naphthalen-2-ylmethyl)-2-oxoindol-7-yl]prop-2-enamide (CID 46885947) is (E)-N-(3,4-dichlorophenyl)sulfonyl-3-[3,3-difluoro-1-(naphthalen-2-ylmethyl)-2-oxoindol-7-yl]prop-2-enamide.
What is the SMILES notation for (E)-N-(3,4-dichlorophenyl)sulfonyl-3-[3,3-difluoro-1-(naphthalen-2-ylmethyl)-2-oxoindol-7-yl]prop-2-enamide?
The canonical SMILES for (E)-N-(3,4-dichlorophenyl)sulfonyl-3-[3,3-difluoro-1-(naphthalen-2-ylmethyl)-2-oxoindol-7-yl]prop-2-enamide is O=C(/C=C/c1cccc2c1N(Cc1ccc3ccccc3c1)C(=O)C2(F)F)NS(=O)(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of (E)-N-(3,4-dichlorophenyl)sulfonyl-3-[3,3-difluoro-1-(naphthalen-2-ylmethyl)-2-oxoindol-7-yl]prop-2-enamide?
The InChIKey is FFMXUNLIUHLEMS-JLHYYAGUSA-N. The full InChI is InChI=1S/C28H18Cl2F2N2O4S/c29-23-12-11-21(15-24(23)30)39(37,38)33-25(35)13-10-19-6-3-7-22-26(19)34(27(36)28(22,31)32)16-17-8-9-18-4-1-2-5-20(18)14-17/h1-15H,16H2,(H,33,35)/b13-10+.
What are the key properties of (E)-N-(3,4-dichlorophenyl)sulfonyl-3-[3,3-difluoro-1-(naphthalen-2-ylmethyl)-2-oxoindol-7-yl]prop-2-enamide?
(E)-N-(3,4-dichlorophenyl)sulfonyl-3-[3,3-difluoro-1-(naphthalen-2-ylmethyl)-2-oxoindol-7-yl]prop-2-enamide has a molecular weight of 587.43 g/mol, XLogP of 6.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3,4-dichlorophenyl)sulfonyl-3-[3,3-difluoro-1-(naphthalen-2-ylmethyl)-2-oxoindol-7-yl]prop-2-enamide is sourced from PubChem (CID 46885947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).