4-(benzenesulfonyl)-3-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]-2-methyl-1,2-oxazolidine

C24H24FNO5S — CID 4593060

IUPAC4-(benzenesulfonyl)-3-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]-2-methyl-1,2-oxazolidine
SMILESCOc1cc(C2C(S(=O)(=O)c3ccccc3)CON2C)ccc1OCc1ccc(F)cc1
InChIInChI=1S/C24H24FNO5S/c1-26-24(23(16-31-26)32(27,28)20-6-4-3-5-7-20)18-10-13-21(22(14-18)29-2)30-15-17-8-11-19(25)12-9-17/h3-14,23-24H,15-16H2,1-2H3
InChIKeyDEVXPNPWDHIMKH-UHFFFAOYSA-N
MW457.52 g/mol
LogP4.17
Rot. Bonds7

About 4-(benzenesulfonyl)-3-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]-2-methyl-1,2-oxazolidine

4-(benzenesulfonyl)-3-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]-2-methyl-1,2-oxazolidine (PubChem CID 4593060) has the molecular formula C24H24FNO5S and a molecular weight of 457.52 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-3-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]-2-methyl-1,2-oxazolidine.

Molecular Properties

Compound Name4-(benzenesulfonyl)-3-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]-2-methyl-1,2-oxazolidine
PubChem CID4593060
Molecular FormulaC24H24FNO5S
Molecular Weight457.52 g/mol
Exact Mass457.14
IUPAC Name4-(benzenesulfonyl)-3-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]-2-methyl-1,2-oxazolidine
SMILESCOc1cc(C2C(S(=O)(=O)c3ccccc3)CON2C)ccc1OCc1ccc(F)cc1
InChIInChI=1S/C24H24FNO5S/c1-26-24(23(16-31-26)32(27,28)20-6-4-3-5-7-20)18-10-13-21(22(14-18)29-2)30-15-17-8-11-19(25)12-9-17/h3-14,23-24H,15-16H2,1-2H3
InChIKeyDEVXPNPWDHIMKH-UHFFFAOYSA-N
XLogP4.17
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.52
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)-3-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]-2-methyl-1,2-oxazolidine?
The IUPAC name of 4-(benzenesulfonyl)-3-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]-2-methyl-1,2-oxazolidine (CID 4593060) is 4-(benzenesulfonyl)-3-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]-2-methyl-1,2-oxazolidine.
What is the SMILES notation for 4-(benzenesulfonyl)-3-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]-2-methyl-1,2-oxazolidine?
The canonical SMILES for 4-(benzenesulfonyl)-3-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]-2-methyl-1,2-oxazolidine is COc1cc(C2C(S(=O)(=O)c3ccccc3)CON2C)ccc1OCc1ccc(F)cc1.
What is the InChIKey of 4-(benzenesulfonyl)-3-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]-2-methyl-1,2-oxazolidine?
The InChIKey is DEVXPNPWDHIMKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FNO5S/c1-26-24(23(16-31-26)32(27,28)20-6-4-3-5-7-20)18-10-13-21(22(14-18)29-2)30-15-17-8-11-19(25)12-9-17/h3-14,23-24H,15-16H2,1-2H3.
What are the key properties of 4-(benzenesulfonyl)-3-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]-2-methyl-1,2-oxazolidine?
4-(benzenesulfonyl)-3-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]-2-methyl-1,2-oxazolidine has a molecular weight of 457.52 g/mol, XLogP of 4.17, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonyl)-3-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]-2-methyl-1,2-oxazolidine is sourced from PubChem (CID 4593060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).