(E)-N-(4-cyanophenyl)-2-phenyl-N-[(E)-2-phenylethenyl]sulfonylethenesulfonamide

C23H18N2O4S2 — CID 70250762

IUPAC(E)-N-(4-cyanophenyl)-2-phenyl-N-[(E)-2-phenylethenyl]sulfonylethenesulfonamide
SMILESN#Cc1ccc(N(S(=O)(=O)/C=C/c2ccccc2)S(=O)(=O)/C=C/c2ccccc2)cc1
InChIInChI=1S/C23H18N2O4S2/c24-19-22-11-13-23(14-12-22)25(30(26,27)17-15-20-7-3-1-4-8-20)31(28,29)18-16-21-9-5-2-6-10-21/h1-18H/b17-15+,18-16+
InChIKeyBNSIHQJGMVHZIA-YTEMWHBBSA-N
MW450.54 g/mol
LogP4.37
Rot. Bonds7

About (E)-N-(4-cyanophenyl)-2-phenyl-N-[(E)-2-phenylethenyl]sulfonylethenesulfonamide

(E)-N-(4-cyanophenyl)-2-phenyl-N-[(E)-2-phenylethenyl]sulfonylethenesulfonamide (PubChem CID 70250762) has the molecular formula C23H18N2O4S2 and a molecular weight of 450.54 g/mol. Its IUPAC name is (E)-N-(4-cyanophenyl)-2-phenyl-N-[(E)-2-phenylethenyl]sulfonylethenesulfonamide.

Molecular Properties

Compound Name(E)-N-(4-cyanophenyl)-2-phenyl-N-[(E)-2-phenylethenyl]sulfonylethenesulfonamide
PubChem CID70250762
Molecular FormulaC23H18N2O4S2
Molecular Weight450.54 g/mol
Exact Mass450.07
IUPAC Name(E)-N-(4-cyanophenyl)-2-phenyl-N-[(E)-2-phenylethenyl]sulfonylethenesulfonamide
SMILESN#Cc1ccc(N(S(=O)(=O)/C=C/c2ccccc2)S(=O)(=O)/C=C/c2ccccc2)cc1
InChIInChI=1S/C23H18N2O4S2/c24-19-22-11-13-23(14-12-22)25(30(26,27)17-15-20-7-3-1-4-8-20)31(28,29)18-16-21-9-5-2-6-10-21/h1-18H/b17-15+,18-16+
InChIKeyBNSIHQJGMVHZIA-YTEMWHBBSA-N
XLogP4.37
TPSA95.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.54
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-phenylethenylsulfonyl)benzonitrile
CID 70224681
4-[[4-(2-phenylethenyl)phenyl]sulfonylmethyl]benzonitrile
CID 175320678
4-[(Z)-2-(4-cyanophenyl)ethenyl]benzonitrile
CID 10857270
(E)-N-ethyl-N-(4-methylphenyl)-2-phenylethenesulfonamide
CID 13264624
4-methylbenzonitrile;[(E)-prop-1-enyl]benzene;1,4-xylene
CID 143368979
N-methoxy-N-methyl-2-phenylethenesulfonamide
CID 76873216
benzonitrile;sulfamide
CID 159924446
4-[N-naphthalen-2-yl-4-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]anilino]benzonitrile
CID 90837425
CID 159387083
CID 159387083
4-[(E)-2-[4-[(E)-2-(4-cyanophenyl)ethenyl]-2,5-bis(N-phenylanilino)phenyl]ethenyl]benzonitrile
CID 102485481
4-[(E)-2-(2-nitrophenyl)ethenyl]benzonitrile
CID 155931404
(14N)benzonitrile
CID 102268532

Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-cyanophenyl)-2-phenyl-N-[(E)-2-phenylethenyl]sulfonylethenesulfonamide?
The IUPAC name of (E)-N-(4-cyanophenyl)-2-phenyl-N-[(E)-2-phenylethenyl]sulfonylethenesulfonamide (CID 70250762) is (E)-N-(4-cyanophenyl)-2-phenyl-N-[(E)-2-phenylethenyl]sulfonylethenesulfonamide.
What is the SMILES notation for (E)-N-(4-cyanophenyl)-2-phenyl-N-[(E)-2-phenylethenyl]sulfonylethenesulfonamide?
The canonical SMILES for (E)-N-(4-cyanophenyl)-2-phenyl-N-[(E)-2-phenylethenyl]sulfonylethenesulfonamide is N#Cc1ccc(N(S(=O)(=O)/C=C/c2ccccc2)S(=O)(=O)/C=C/c2ccccc2)cc1.
What is the InChIKey of (E)-N-(4-cyanophenyl)-2-phenyl-N-[(E)-2-phenylethenyl]sulfonylethenesulfonamide?
The InChIKey is BNSIHQJGMVHZIA-YTEMWHBBSA-N. The full InChI is InChI=1S/C23H18N2O4S2/c24-19-22-11-13-23(14-12-22)25(30(26,27)17-15-20-7-3-1-4-8-20)31(28,29)18-16-21-9-5-2-6-10-21/h1-18H/b17-15+,18-16+.
What are the key properties of (E)-N-(4-cyanophenyl)-2-phenyl-N-[(E)-2-phenylethenyl]sulfonylethenesulfonamide?
(E)-N-(4-cyanophenyl)-2-phenyl-N-[(E)-2-phenylethenyl]sulfonylethenesulfonamide has a molecular weight of 450.54 g/mol, XLogP of 4.37, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-cyanophenyl)-2-phenyl-N-[(E)-2-phenylethenyl]sulfonylethenesulfonamide is sourced from PubChem (CID 70250762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).