2-(4-fluorophenyl)sulfonyl-1,4-dimethoxybenzene

C14H13FO4S — CID 132609514

IUPAC2-(4-fluorophenyl)sulfonyl-1,4-dimethoxybenzene
SMILESCOc1ccc(OC)c(S(=O)(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C14H13FO4S/c1-18-11-5-8-13(19-2)14(9-11)20(16,17)12-6-3-10(15)4-7-12/h3-9H,1-2H3
InChIKeyMUDFLEWKQSQXKR-UHFFFAOYSA-N
MW296.32 g/mol
LogP2.68
Rot. Bonds4

About 2-(4-fluorophenyl)sulfonyl-1,4-dimethoxybenzene

2-(4-fluorophenyl)sulfonyl-1,4-dimethoxybenzene (PubChem CID 132609514) has the molecular formula C14H13FO4S and a molecular weight of 296.32 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfonyl-1,4-dimethoxybenzene.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfonyl-1,4-dimethoxybenzene
PubChem CID132609514
Molecular FormulaC14H13FO4S
Molecular Weight296.32 g/mol
Exact Mass296.05
IUPAC Name2-(4-fluorophenyl)sulfonyl-1,4-dimethoxybenzene
SMILESCOc1ccc(OC)c(S(=O)(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C14H13FO4S/c1-18-11-5-8-13(19-2)14(9-11)20(16,17)12-6-3-10(15)4-7-12/h3-9H,1-2H3
InChIKeyMUDFLEWKQSQXKR-UHFFFAOYSA-N
XLogP2.68
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,4-dimethoxy-2-(4-methoxyphenyl)sulfonylbenzene
CID 132609518
1-methoxy-4-methyl-2-(4-methylphenyl)sulfonylbenzene
CID 145226676
N-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-2,5-dimethoxybenzenesulfonamide
CID 162650214
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-fluorophenyl)sulfonyl-2-(4-methoxyphenyl)-1,3-oxazol-5-amine
CID 18827066
4-fluoro-N-[4-methoxy-3-(4-methoxyphenyl)phenyl]benzenesulfonamide
CID 8519475
1-methoxy-4-[4-(4-methoxyphenyl)sulfonylphenyl]sulfonylbenzene
CID 71186281
(2-chlorophenyl) 2,5-dimethoxybenzenesulfonate
CID 172894052
1-(2,5-dimethoxyphenyl)sulfonyl-N-(4-fluorophenyl)piperidine-4-carboxamide
CID 2982195
ethyl 2,5-dimethoxybenzenesulfonate
CID 164678093
2,4-dimethoxy-1-[4-(4-methylphenyl)sulfonylphenoxy]benzene
CID 90324050
1-(benzenesulfonyl)-2-fluoro-4-(5-fluoro-2-methoxyphenyl)benzene
CID 67238966
5-fluoro-2-methoxy-N-(3-methoxyphenyl)benzenesulfonamide
CID 17018087

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfonyl-1,4-dimethoxybenzene?
The IUPAC name of 2-(4-fluorophenyl)sulfonyl-1,4-dimethoxybenzene (CID 132609514) is 2-(4-fluorophenyl)sulfonyl-1,4-dimethoxybenzene.
What is the SMILES notation for 2-(4-fluorophenyl)sulfonyl-1,4-dimethoxybenzene?
The canonical SMILES for 2-(4-fluorophenyl)sulfonyl-1,4-dimethoxybenzene is COc1ccc(OC)c(S(=O)(=O)c2ccc(F)cc2)c1.
What is the InChIKey of 2-(4-fluorophenyl)sulfonyl-1,4-dimethoxybenzene?
The InChIKey is MUDFLEWKQSQXKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FO4S/c1-18-11-5-8-13(19-2)14(9-11)20(16,17)12-6-3-10(15)4-7-12/h3-9H,1-2H3.
What are the key properties of 2-(4-fluorophenyl)sulfonyl-1,4-dimethoxybenzene?
2-(4-fluorophenyl)sulfonyl-1,4-dimethoxybenzene has a molecular weight of 296.32 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfonyl-1,4-dimethoxybenzene is sourced from PubChem (CID 132609514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).