6-fluoro-1-[(2-iodophenyl)methyl]-N-(1,2,4-thiadiazol-5-yl)indazole-5-sulfonamide

C16H11FIN5O2S2 — CID 74220933

IUPAC6-fluoro-1-[(2-iodophenyl)methyl]-N-(1,2,4-thiadiazol-5-yl)indazole-5-sulfonamide
SMILESO=S(=O)(Nc1ncns1)c1cc2cnn(Cc3ccccc3I)c2cc1F
InChIInChI=1S/C16H11FIN5O2S2/c17-12-6-14-11(5-15(12)27(24,25)22-16-19-9-21-26-16)7-20-23(14)8-10-3-1-2-4-13(10)18/h1-7,9H,8H2,(H,19,21,22)
InChIKeyWDCFIOZXASZLCQ-UHFFFAOYSA-N
MW515.33 g/mol
LogP3.48
Rot. Bonds5

About 6-fluoro-1-[(2-iodophenyl)methyl]-N-(1,2,4-thiadiazol-5-yl)indazole-5-sulfonamide

6-fluoro-1-[(2-iodophenyl)methyl]-N-(1,2,4-thiadiazol-5-yl)indazole-5-sulfonamide (PubChem CID 74220933) has the molecular formula C16H11FIN5O2S2 and a molecular weight of 515.33 g/mol. Its IUPAC name is 6-fluoro-1-[(2-iodophenyl)methyl]-N-(1,2,4-thiadiazol-5-yl)indazole-5-sulfonamide.

Molecular Properties

Compound Name6-fluoro-1-[(2-iodophenyl)methyl]-N-(1,2,4-thiadiazol-5-yl)indazole-5-sulfonamide
PubChem CID74220933
Molecular FormulaC16H11FIN5O2S2
Molecular Weight515.33 g/mol
Exact Mass514.94
IUPAC Name6-fluoro-1-[(2-iodophenyl)methyl]-N-(1,2,4-thiadiazol-5-yl)indazole-5-sulfonamide
SMILESO=S(=O)(Nc1ncns1)c1cc2cnn(Cc3ccccc3I)c2cc1F
InChIInChI=1S/C16H11FIN5O2S2/c17-12-6-14-11(5-15(12)27(24,25)22-16-19-9-21-26-16)7-20-23(14)8-10-3-1-2-4-13(10)18/h1-7,9H,8H2,(H,19,21,22)
InChIKeyWDCFIOZXASZLCQ-UHFFFAOYSA-N
XLogP3.48
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.33
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-[(2-iodophenyl)methyl]-N-(1,2,4-thiadiazol-5-yl)indazole-5-sulfonamide?
The IUPAC name of 6-fluoro-1-[(2-iodophenyl)methyl]-N-(1,2,4-thiadiazol-5-yl)indazole-5-sulfonamide (CID 74220933) is 6-fluoro-1-[(2-iodophenyl)methyl]-N-(1,2,4-thiadiazol-5-yl)indazole-5-sulfonamide.
What is the SMILES notation for 6-fluoro-1-[(2-iodophenyl)methyl]-N-(1,2,4-thiadiazol-5-yl)indazole-5-sulfonamide?
The canonical SMILES for 6-fluoro-1-[(2-iodophenyl)methyl]-N-(1,2,4-thiadiazol-5-yl)indazole-5-sulfonamide is O=S(=O)(Nc1ncns1)c1cc2cnn(Cc3ccccc3I)c2cc1F.
What is the InChIKey of 6-fluoro-1-[(2-iodophenyl)methyl]-N-(1,2,4-thiadiazol-5-yl)indazole-5-sulfonamide?
The InChIKey is WDCFIOZXASZLCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FIN5O2S2/c17-12-6-14-11(5-15(12)27(24,25)22-16-19-9-21-26-16)7-20-23(14)8-10-3-1-2-4-13(10)18/h1-7,9H,8H2,(H,19,21,22).
What are the key properties of 6-fluoro-1-[(2-iodophenyl)methyl]-N-(1,2,4-thiadiazol-5-yl)indazole-5-sulfonamide?
6-fluoro-1-[(2-iodophenyl)methyl]-N-(1,2,4-thiadiazol-5-yl)indazole-5-sulfonamide has a molecular weight of 515.33 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-[(2-iodophenyl)methyl]-N-(1,2,4-thiadiazol-5-yl)indazole-5-sulfonamide is sourced from PubChem (CID 74220933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).