4-(4-fluorophenyl)sulfonyl-7-iodo-1,2-dihydronaphthalene

C16H12FIO2S — CID 122669198

IUPAC4-(4-fluorophenyl)sulfonyl-7-iodo-1,2-dihydronaphthalene
SMILESO=S(=O)(C1=CCCc2cc(I)ccc21)c1ccc(F)cc1
InChIInChI=1S/C16H12FIO2S/c17-12-4-7-14(8-5-12)21(19,20)16-3-1-2-11-10-13(18)6-9-15(11)16/h3-10H,1-2H2
InChIKeyWGVISBJKUVPNIA-UHFFFAOYSA-N
MW414.24 g/mol
LogP4.19
Rot. Bonds2

About 4-(4-fluorophenyl)sulfonyl-7-iodo-1,2-dihydronaphthalene

4-(4-fluorophenyl)sulfonyl-7-iodo-1,2-dihydronaphthalene (PubChem CID 122669198) has the molecular formula C16H12FIO2S and a molecular weight of 414.24 g/mol. Its IUPAC name is 4-(4-fluorophenyl)sulfonyl-7-iodo-1,2-dihydronaphthalene.

Molecular Properties

Compound Name4-(4-fluorophenyl)sulfonyl-7-iodo-1,2-dihydronaphthalene
PubChem CID122669198
Molecular FormulaC16H12FIO2S
Molecular Weight414.24 g/mol
Exact Mass413.96
IUPAC Name4-(4-fluorophenyl)sulfonyl-7-iodo-1,2-dihydronaphthalene
SMILESO=S(=O)(C1=CCCc2cc(I)ccc21)c1ccc(F)cc1
InChIInChI=1S/C16H12FIO2S/c17-12-4-7-14(8-5-12)21(19,20)16-3-1-2-11-10-13(18)6-9-15(11)16/h3-10H,1-2H2
InChIKeyWGVISBJKUVPNIA-UHFFFAOYSA-N
XLogP4.19
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.24
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)sulfonyl-7-iodo-1,2-dihydronaphthalene?
The IUPAC name of 4-(4-fluorophenyl)sulfonyl-7-iodo-1,2-dihydronaphthalene (CID 122669198) is 4-(4-fluorophenyl)sulfonyl-7-iodo-1,2-dihydronaphthalene.
What is the SMILES notation for 4-(4-fluorophenyl)sulfonyl-7-iodo-1,2-dihydronaphthalene?
The canonical SMILES for 4-(4-fluorophenyl)sulfonyl-7-iodo-1,2-dihydronaphthalene is O=S(=O)(C1=CCCc2cc(I)ccc21)c1ccc(F)cc1.
What is the InChIKey of 4-(4-fluorophenyl)sulfonyl-7-iodo-1,2-dihydronaphthalene?
The InChIKey is WGVISBJKUVPNIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FIO2S/c17-12-4-7-14(8-5-12)21(19,20)16-3-1-2-11-10-13(18)6-9-15(11)16/h3-10H,1-2H2.
What are the key properties of 4-(4-fluorophenyl)sulfonyl-7-iodo-1,2-dihydronaphthalene?
4-(4-fluorophenyl)sulfonyl-7-iodo-1,2-dihydronaphthalene has a molecular weight of 414.24 g/mol, XLogP of 4.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)sulfonyl-7-iodo-1,2-dihydronaphthalene is sourced from PubChem (CID 122669198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).