(E)-2-(4-iodophenyl)-N-[(E)-2-(4-iodophenyl)ethenyl]sulfinylethenesulfinamide

C16H13I2NO2S2 — CID 11635505

IUPAC(E)-2-(4-iodophenyl)-N-[(E)-2-(4-iodophenyl)ethenyl]sulfinylethenesulfinamide
SMILESO=S(/C=C/c1ccc(I)cc1)NS(=O)/C=C/c1ccc(I)cc1
InChIInChI=1S/C16H13I2NO2S2/c17-15-5-1-13(2-6-15)9-11-22(20)19-23(21)12-10-14-3-7-16(18)8-4-14/h1-12,19H/b11-9+,12-10+
InChIKeyDNUWERPOTZXMDV-WGDLNXRISA-N
MW569.23 g/mol
LogP4.45
Rot. Bonds6

About (E)-2-(4-iodophenyl)-N-[(E)-2-(4-iodophenyl)ethenyl]sulfinylethenesulfinamide

(E)-2-(4-iodophenyl)-N-[(E)-2-(4-iodophenyl)ethenyl]sulfinylethenesulfinamide (PubChem CID 11635505) has the molecular formula C16H13I2NO2S2 and a molecular weight of 569.23 g/mol. Its IUPAC name is (E)-2-(4-iodophenyl)-N-[(E)-2-(4-iodophenyl)ethenyl]sulfinylethenesulfinamide.

Molecular Properties

Compound Name(E)-2-(4-iodophenyl)-N-[(E)-2-(4-iodophenyl)ethenyl]sulfinylethenesulfinamide
PubChem CID11635505
Molecular FormulaC16H13I2NO2S2
Molecular Weight569.23 g/mol
Exact Mass568.85
IUPAC Name(E)-2-(4-iodophenyl)-N-[(E)-2-(4-iodophenyl)ethenyl]sulfinylethenesulfinamide
SMILESO=S(/C=C/c1ccc(I)cc1)NS(=O)/C=C/c1ccc(I)cc1
InChIInChI=1S/C16H13I2NO2S2/c17-15-5-1-13(2-6-15)9-11-22(20)19-23(21)12-10-14-3-7-16(18)8-4-14/h1-12,19H/b11-9+,12-10+
InChIKeyDNUWERPOTZXMDV-WGDLNXRISA-N
XLogP4.45
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500569.23
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 10244468
CID 10244468
CID 5357731
CID 5357731
CID 257501
CID 257501
CID 252586
CID 252586
CID 293864
CID 293864
CID 260148
CID 260148
CID 12384136
CID 12384136
CID 92449246
CID 92449246
CID 5825330
CID 5825330
CID 13107252
CID 13107252
CID 15199166
CID 15199166
CID 22298989
CID 22298989

Frequently Asked Questions

What is the IUPAC name of (E)-2-(4-iodophenyl)-N-[(E)-2-(4-iodophenyl)ethenyl]sulfinylethenesulfinamide?
The IUPAC name of (E)-2-(4-iodophenyl)-N-[(E)-2-(4-iodophenyl)ethenyl]sulfinylethenesulfinamide (CID 11635505) is (E)-2-(4-iodophenyl)-N-[(E)-2-(4-iodophenyl)ethenyl]sulfinylethenesulfinamide.
What is the SMILES notation for (E)-2-(4-iodophenyl)-N-[(E)-2-(4-iodophenyl)ethenyl]sulfinylethenesulfinamide?
The canonical SMILES for (E)-2-(4-iodophenyl)-N-[(E)-2-(4-iodophenyl)ethenyl]sulfinylethenesulfinamide is O=S(/C=C/c1ccc(I)cc1)NS(=O)/C=C/c1ccc(I)cc1.
What is the InChIKey of (E)-2-(4-iodophenyl)-N-[(E)-2-(4-iodophenyl)ethenyl]sulfinylethenesulfinamide?
The InChIKey is DNUWERPOTZXMDV-WGDLNXRISA-N. The full InChI is InChI=1S/C16H13I2NO2S2/c17-15-5-1-13(2-6-15)9-11-22(20)19-23(21)12-10-14-3-7-16(18)8-4-14/h1-12,19H/b11-9+,12-10+.
What are the key properties of (E)-2-(4-iodophenyl)-N-[(E)-2-(4-iodophenyl)ethenyl]sulfinylethenesulfinamide?
(E)-2-(4-iodophenyl)-N-[(E)-2-(4-iodophenyl)ethenyl]sulfinylethenesulfinamide has a molecular weight of 569.23 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(4-iodophenyl)-N-[(E)-2-(4-iodophenyl)ethenyl]sulfinylethenesulfinamide is sourced from PubChem (CID 11635505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).