(E)-2-(4-cyano-2-fluorophenyl)-N-[(E)-2-(4-cyano-2-fluorophenyl)ethenyl]sulfonylethenesulfonamide

C18H11F2N3O4S2 — CID 11524889

IUPAC(E)-2-(4-cyano-2-fluorophenyl)-N-[(E)-2-(4-cyano-2-fluorophenyl)ethenyl]sulfonylethenesulfonamide
SMILESN#Cc1ccc(/C=C/S(=O)(=O)NS(=O)(=O)/C=C/c2ccc(C#N)cc2F)c(F)c1
InChIInChI=1S/C18H11F2N3O4S2/c19-17-9-13(11-21)1-3-15(17)5-7-28(24,25)23-29(26,27)8-6-16-4-2-14(12-22)10-18(16)20/h1-10,23H/b7-5+,8-6+
InChIKeyJALSZUYUYJRCSI-KQQUZDAGSA-N
MW435.43 g/mol
LogP2.60
Rot. Bonds6

About (E)-2-(4-cyano-2-fluorophenyl)-N-[(E)-2-(4-cyano-2-fluorophenyl)ethenyl]sulfonylethenesulfonamide

(E)-2-(4-cyano-2-fluorophenyl)-N-[(E)-2-(4-cyano-2-fluorophenyl)ethenyl]sulfonylethenesulfonamide (PubChem CID 11524889) has the molecular formula C18H11F2N3O4S2 and a molecular weight of 435.43 g/mol. Its IUPAC name is (E)-2-(4-cyano-2-fluorophenyl)-N-[(E)-2-(4-cyano-2-fluorophenyl)ethenyl]sulfonylethenesulfonamide.

Molecular Properties

Compound Name(E)-2-(4-cyano-2-fluorophenyl)-N-[(E)-2-(4-cyano-2-fluorophenyl)ethenyl]sulfonylethenesulfonamide
PubChem CID11524889
Molecular FormulaC18H11F2N3O4S2
Molecular Weight435.43 g/mol
Exact Mass435.02
IUPAC Name(E)-2-(4-cyano-2-fluorophenyl)-N-[(E)-2-(4-cyano-2-fluorophenyl)ethenyl]sulfonylethenesulfonamide
SMILESN#Cc1ccc(/C=C/S(=O)(=O)NS(=O)(=O)/C=C/c2ccc(C#N)cc2F)c(F)c1
InChIInChI=1S/C18H11F2N3O4S2/c19-17-9-13(11-21)1-3-15(17)5-7-28(24,25)23-29(26,27)8-6-16-4-2-14(12-22)10-18(16)20/h1-10,23H/b7-5+,8-6+
InChIKeyJALSZUYUYJRCSI-KQQUZDAGSA-N
XLogP2.60
TPSA127.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.43
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (E)-2-(4-cyano-2-fluorophenyl)-N-[(E)-2-(4-cyano-2-fluorophenyl)ethenyl]sulfonylethenesulfonamide with MolForge

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Related Compounds

4-[(E)-2-bromoethenyl]-3-fluorobenzonitrile
CID 165471193
4-[(E)-4-[(E)-2-(4-cyano-2-fluorophenyl)ethenyl]sulfonyl-3-oxobut-1-enyl]-3-fluorobenzonitrile
CID 11502169
3-fluoro-4-[(1E,3E)-4-hydroxybuta-1,3-dienyl]benzonitrile
CID 21336692
methyl 4-(4-cyano-2-fluorophenyl)but-3-enoate
CID 170500893
4-cyano-2-fluorobenzenesulfonic acid
CID 58462884
S-[4-(4-cyano-2-fluorophenyl)but-3-enyl] ethanethioate
CID 170480115
N-[4-(4-cyano-2-fluorophenyl)but-3-enyl]acetamide
CID 170488674
3-fluoro-4-iodobenzonitrile
CID 24721521
[(E)-(4-cyano-2-fluorophenyl)methylideneamino] hypochlorite
CID 89267275
4-methoxy-3-[(E)-2-methylsulfonylethenyl]benzonitrile
CID 154720947
5-cyano-2-fluorobenzenesulfonamide
CID 67530919
2,4-difluoro-1-[(E)-2-methylsulfonylethenyl]benzene
CID 87339541

Frequently Asked Questions

What is the IUPAC name of (E)-2-(4-cyano-2-fluorophenyl)-N-[(E)-2-(4-cyano-2-fluorophenyl)ethenyl]sulfonylethenesulfonamide?
The IUPAC name of (E)-2-(4-cyano-2-fluorophenyl)-N-[(E)-2-(4-cyano-2-fluorophenyl)ethenyl]sulfonylethenesulfonamide (CID 11524889) is (E)-2-(4-cyano-2-fluorophenyl)-N-[(E)-2-(4-cyano-2-fluorophenyl)ethenyl]sulfonylethenesulfonamide.
What is the SMILES notation for (E)-2-(4-cyano-2-fluorophenyl)-N-[(E)-2-(4-cyano-2-fluorophenyl)ethenyl]sulfonylethenesulfonamide?
The canonical SMILES for (E)-2-(4-cyano-2-fluorophenyl)-N-[(E)-2-(4-cyano-2-fluorophenyl)ethenyl]sulfonylethenesulfonamide is N#Cc1ccc(/C=C/S(=O)(=O)NS(=O)(=O)/C=C/c2ccc(C#N)cc2F)c(F)c1.
What is the InChIKey of (E)-2-(4-cyano-2-fluorophenyl)-N-[(E)-2-(4-cyano-2-fluorophenyl)ethenyl]sulfonylethenesulfonamide?
The InChIKey is JALSZUYUYJRCSI-KQQUZDAGSA-N. The full InChI is InChI=1S/C18H11F2N3O4S2/c19-17-9-13(11-21)1-3-15(17)5-7-28(24,25)23-29(26,27)8-6-16-4-2-14(12-22)10-18(16)20/h1-10,23H/b7-5+,8-6+.
What are the key properties of (E)-2-(4-cyano-2-fluorophenyl)-N-[(E)-2-(4-cyano-2-fluorophenyl)ethenyl]sulfonylethenesulfonamide?
(E)-2-(4-cyano-2-fluorophenyl)-N-[(E)-2-(4-cyano-2-fluorophenyl)ethenyl]sulfonylethenesulfonamide has a molecular weight of 435.43 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(4-cyano-2-fluorophenyl)-N-[(E)-2-(4-cyano-2-fluorophenyl)ethenyl]sulfonylethenesulfonamide is sourced from PubChem (CID 11524889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).