9-(4-methoxyphenyl)sulfonyl-9H-fluorene

C20H16O3S — CID 11450528

IUPAC9-(4-methoxyphenyl)sulfonyl-9H-fluorene
SMILESCOc1ccc(S(=O)(=O)C2c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C20H16O3S/c1-23-14-10-12-15(13-11-14)24(21,22)20-18-8-4-2-6-16(18)17-7-3-5-9-19(17)20/h2-13,20H,1H3
InChIKeyNXOPZWONNOJFNU-UHFFFAOYSA-N
MW336.41 g/mol
LogP4.24
Rot. Bonds3

About 9-(4-methoxyphenyl)sulfonyl-9H-fluorene

9-(4-methoxyphenyl)sulfonyl-9H-fluorene (PubChem CID 11450528) has the molecular formula C20H16O3S and a molecular weight of 336.41 g/mol. Its IUPAC name is 9-(4-methoxyphenyl)sulfonyl-9H-fluorene.

Molecular Properties

Compound Name9-(4-methoxyphenyl)sulfonyl-9H-fluorene
PubChem CID11450528
Molecular FormulaC20H16O3S
Molecular Weight336.41 g/mol
Exact Mass336.08
IUPAC Name9-(4-methoxyphenyl)sulfonyl-9H-fluorene
SMILESCOc1ccc(S(=O)(=O)C2c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C20H16O3S/c1-23-14-10-12-15(13-11-14)24(21,22)20-18-8-4-2-6-16(18)17-7-3-5-9-19(17)20/h2-13,20H,1H3
InChIKeyNXOPZWONNOJFNU-UHFFFAOYSA-N
XLogP4.24
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(6R)-5-(4-methoxyphenyl)sulfonyl-6-phenyl-6H-phenanthridine
CID 69354601
1-[9-(benzenesulfonyl)-4-hydroxy-6-methoxy-9H-fluoren-3-yl]ethanone
CID 102479883
1-methoxy-4-[4-(4-methoxyphenyl)sulfonylphenyl]sulfonylbenzene
CID 71186281
(6S)-6-[(2R)-butan-2-yl]-5-(4-methoxyphenyl)sulfonyl-6H-phenanthridine
CID 20782184
4-methoxybenzenesulfonyl iodide
CID 23080708
trityl 4-methoxybenzenesulfonate
CID 139948091
8-(4-methoxyphenyl)sulfonyl-8-azabicyclo[3.2.1]octane
CID 147806045
2-(benzenesulfonyl)-3-(4-methoxyphenyl)cyclopropan-1-amine
CID 102569327
N-(4-methoxyphenyl)sulfonyl-2-methyl-N-phenyl-9H-fluorene-9-carboxamide
CID 102366727
3-(4-methoxyphenyl)-3H-2-benzofuran-1-one
CID 10955671
N-[(4-methoxyphenyl)methyl]-N-methyl-9H-fluoren-9-amine
CID 2517460
3-(4-methoxyphenyl)sulfonyl-1-methylsulfonylazetidine
CID 72718913

Frequently Asked Questions

What is the IUPAC name of 9-(4-methoxyphenyl)sulfonyl-9H-fluorene?
The IUPAC name of 9-(4-methoxyphenyl)sulfonyl-9H-fluorene (CID 11450528) is 9-(4-methoxyphenyl)sulfonyl-9H-fluorene.
What is the SMILES notation for 9-(4-methoxyphenyl)sulfonyl-9H-fluorene?
The canonical SMILES for 9-(4-methoxyphenyl)sulfonyl-9H-fluorene is COc1ccc(S(=O)(=O)C2c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of 9-(4-methoxyphenyl)sulfonyl-9H-fluorene?
The InChIKey is NXOPZWONNOJFNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16O3S/c1-23-14-10-12-15(13-11-14)24(21,22)20-18-8-4-2-6-16(18)17-7-3-5-9-19(17)20/h2-13,20H,1H3.
What are the key properties of 9-(4-methoxyphenyl)sulfonyl-9H-fluorene?
9-(4-methoxyphenyl)sulfonyl-9H-fluorene has a molecular weight of 336.41 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-methoxyphenyl)sulfonyl-9H-fluorene is sourced from PubChem (CID 11450528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).