1-[benzenesulfonyl(fluoro)methyl]-4-methoxybenzene

C14H13FO3S — CID 102258958

IUPAC1-[benzenesulfonyl(fluoro)methyl]-4-methoxybenzene
SMILESCOc1ccc(C(F)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C14H13FO3S/c1-18-12-9-7-11(8-10-12)14(15)19(16,17)13-5-3-2-4-6-13/h2-10,14H,1H3
InChIKeyUGWRRRISJAWQPI-UHFFFAOYSA-N
MW280.32 g/mol
LogP3.14
Rot. Bonds4

About 1-[benzenesulfonyl(fluoro)methyl]-4-methoxybenzene

1-[benzenesulfonyl(fluoro)methyl]-4-methoxybenzene (PubChem CID 102258958) has the molecular formula C14H13FO3S and a molecular weight of 280.32 g/mol. Its IUPAC name is 1-[benzenesulfonyl(fluoro)methyl]-4-methoxybenzene.

Molecular Properties

Compound Name1-[benzenesulfonyl(fluoro)methyl]-4-methoxybenzene
PubChem CID102258958
Molecular FormulaC14H13FO3S
Molecular Weight280.32 g/mol
Exact Mass280.06
IUPAC Name1-[benzenesulfonyl(fluoro)methyl]-4-methoxybenzene
SMILESCOc1ccc(C(F)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C14H13FO3S/c1-18-12-9-7-11(8-10-12)14(15)19(16,17)13-5-3-2-4-6-13/h2-10,14H,1H3
InChIKeyUGWRRRISJAWQPI-UHFFFAOYSA-N
XLogP3.14
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[benzenesulfonyl(fluoro)methyl]-4-methoxybenzene?
The IUPAC name of 1-[benzenesulfonyl(fluoro)methyl]-4-methoxybenzene (CID 102258958) is 1-[benzenesulfonyl(fluoro)methyl]-4-methoxybenzene.
What is the SMILES notation for 1-[benzenesulfonyl(fluoro)methyl]-4-methoxybenzene?
The canonical SMILES for 1-[benzenesulfonyl(fluoro)methyl]-4-methoxybenzene is COc1ccc(C(F)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 1-[benzenesulfonyl(fluoro)methyl]-4-methoxybenzene?
The InChIKey is UGWRRRISJAWQPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FO3S/c1-18-12-9-7-11(8-10-12)14(15)19(16,17)13-5-3-2-4-6-13/h2-10,14H,1H3.
What are the key properties of 1-[benzenesulfonyl(fluoro)methyl]-4-methoxybenzene?
1-[benzenesulfonyl(fluoro)methyl]-4-methoxybenzene has a molecular weight of 280.32 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[benzenesulfonyl(fluoro)methyl]-4-methoxybenzene is sourced from PubChem (CID 102258958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).