3-(4-fluorophenyl)sulfonyl-5-iodo-2-methyl-1-benzofuran

C15H10FIO3S — CID 90874732

IUPAC3-(4-fluorophenyl)sulfonyl-5-iodo-2-methyl-1-benzofuran
SMILESCc1oc2ccc(I)cc2c1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C15H10FIO3S/c1-9-15(13-8-11(17)4-7-14(13)20-9)21(18,19)12-5-2-10(16)3-6-12/h2-8H,1H3
InChIKeyOTZAOPNUWZOVHK-UHFFFAOYSA-N
MW416.21 g/mol
LogP4.32
Rot. Bonds2

About 3-(4-fluorophenyl)sulfonyl-5-iodo-2-methyl-1-benzofuran

3-(4-fluorophenyl)sulfonyl-5-iodo-2-methyl-1-benzofuran (PubChem CID 90874732) has the molecular formula C15H10FIO3S and a molecular weight of 416.21 g/mol. Its IUPAC name is 3-(4-fluorophenyl)sulfonyl-5-iodo-2-methyl-1-benzofuran.

Molecular Properties

Compound Name3-(4-fluorophenyl)sulfonyl-5-iodo-2-methyl-1-benzofuran
PubChem CID90874732
Molecular FormulaC15H10FIO3S
Molecular Weight416.21 g/mol
Exact Mass415.94
IUPAC Name3-(4-fluorophenyl)sulfonyl-5-iodo-2-methyl-1-benzofuran
SMILESCc1oc2ccc(I)cc2c1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C15H10FIO3S/c1-9-15(13-8-11(17)4-7-14(13)20-9)21(18,19)12-5-2-10(16)3-6-12/h2-8H,1H3
InChIKeyOTZAOPNUWZOVHK-UHFFFAOYSA-N
XLogP4.32
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.21
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(benzenesulfonyl)-5-fluoro-2-methyl-1-benzofuran
CID 139078337
3-[(S)-(4-fluorophenyl)sulfinyl]-5-iodo-2-methyl-1-benzofuran
CID 139079051
5-iodo-2,7-dimethyl-3-(4-methylphenyl)sulfonyl-1-benzofuran
CID 123689124
3-(benzenesulfonyl)-5-cyclopentyl-2-methyl-1-benzofuran
CID 123652375
2-(4-fluorophenyl)-5-iodo-3-[(R)-methylsulfinyl]-1-benzofuran
CID 139078206
(5-fluoro-3-methyl-1-benzofuran-2-yl)-(4-iodophenyl)methanone
CID 103606798
2-(4-fluorophenyl)-5-[[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]sulfonyl]-1,3-benzoxazole
CID 17297014
2-(4-fluorophenyl)-3-(4-methylphenyl)sulfonyl-1H-quinolin-4-one
CID 132530833
6-fluoro-3-(4-methylphenyl)sulfonylchromen-4-one
CID 154714737
(5-fluoro-2-methyl-1-benzofuran-3-yl)methanamine
CID 83906292
2-fluoro-6-(4-methylphenyl)sulfonylnaphthalene
CID 11324042
N-[3-(4-fluorobenzoyl)-2-methyl-1-benzofuran-5-yl]methanesulfonamide
CID 118941613

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)sulfonyl-5-iodo-2-methyl-1-benzofuran?
The IUPAC name of 3-(4-fluorophenyl)sulfonyl-5-iodo-2-methyl-1-benzofuran (CID 90874732) is 3-(4-fluorophenyl)sulfonyl-5-iodo-2-methyl-1-benzofuran.
What is the SMILES notation for 3-(4-fluorophenyl)sulfonyl-5-iodo-2-methyl-1-benzofuran?
The canonical SMILES for 3-(4-fluorophenyl)sulfonyl-5-iodo-2-methyl-1-benzofuran is Cc1oc2ccc(I)cc2c1S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)sulfonyl-5-iodo-2-methyl-1-benzofuran?
The InChIKey is OTZAOPNUWZOVHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FIO3S/c1-9-15(13-8-11(17)4-7-14(13)20-9)21(18,19)12-5-2-10(16)3-6-12/h2-8H,1H3.
What are the key properties of 3-(4-fluorophenyl)sulfonyl-5-iodo-2-methyl-1-benzofuran?
3-(4-fluorophenyl)sulfonyl-5-iodo-2-methyl-1-benzofuran has a molecular weight of 416.21 g/mol, XLogP of 4.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)sulfonyl-5-iodo-2-methyl-1-benzofuran is sourced from PubChem (CID 90874732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).