4-[(5,5-dimethyloxolan-2-yl)methoxy]-3-fluorobenzenesulfonamide

C13H18FNO4S — CID 116522475

IUPAC4-[(5,5-dimethyloxolan-2-yl)methoxy]-3-fluorobenzenesulfonamide
SMILESCC1(C)CCC(COc2ccc(S(N)(=O)=O)cc2F)O1
InChIInChI=1S/C13H18FNO4S/c1-13(2)6-5-9(19-13)8-18-12-4-3-10(7-11(12)14)20(15,16)17/h3-4,7,9H,5-6,8H2,1-2H3,(H2,15,16,17)
InChIKeyIFIUHYYAYCHJLK-UHFFFAOYSA-N
MW303.35 g/mol
LogP1.81
Rot. Bonds4

About 4-[(5,5-dimethyloxolan-2-yl)methoxy]-3-fluorobenzenesulfonamide

4-[(5,5-dimethyloxolan-2-yl)methoxy]-3-fluorobenzenesulfonamide (PubChem CID 116522475) has the molecular formula C13H18FNO4S and a molecular weight of 303.35 g/mol. Its IUPAC name is 4-[(5,5-dimethyloxolan-2-yl)methoxy]-3-fluorobenzenesulfonamide.

Molecular Properties

Compound Name4-[(5,5-dimethyloxolan-2-yl)methoxy]-3-fluorobenzenesulfonamide
PubChem CID116522475
Molecular FormulaC13H18FNO4S
Molecular Weight303.35 g/mol
Exact Mass303.09
IUPAC Name4-[(5,5-dimethyloxolan-2-yl)methoxy]-3-fluorobenzenesulfonamide
SMILESCC1(C)CCC(COc2ccc(S(N)(=O)=O)cc2F)O1
InChIInChI=1S/C13H18FNO4S/c1-13(2)6-5-9(19-13)8-18-12-4-3-10(7-11(12)14)20(15,16)17/h3-4,7,9H,5-6,8H2,1-2H3,(H2,15,16,17)
InChIKeyIFIUHYYAYCHJLK-UHFFFAOYSA-N
XLogP1.81
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.35
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[(5,5-dimethyloxolan-2-yl)methoxy]-3-fluorophenyl]-N-methylmethanamine
CID 107686630
4-(cyclohexylmethoxy)-3-fluorobenzenesulfonamide
CID 43164449
2-[(5,5-dimethyloxolan-2-yl)methoxy]-5-methylaniline
CID 116520626
4-ethoxy-3-fluorobenzenesulfonamide
CID 43164444
4-(2-bicyclo[2.2.1]heptanylmethoxy)-3-fluorobenzenesulfonamide
CID 79558786
[2-[(5,5-dimethyloxolan-2-yl)methoxy]-5-fluorophenyl]-trifluoroboranuide
CID 116522457
[3-[(5,5-dimethyloxolan-2-yl)methoxy]-4-fluorophenyl]boronic acid
CID 114674517
2-[(5,5-dimethyloxolan-2-yl)methoxy]-3,5-dimethylbenzenesulfonamide
CID 116522491
5-[[4-chloro-2-(chloromethyl)phenoxy]methyl]-2,2-dimethyloxolane
CID 116522368
1-[5-chloro-2-[(5,5-dimethyloxolan-2-yl)methoxy]phenyl]ethanamine
CID 116520800
5-[[3-bromo-4-(trifluoromethoxy)phenoxy]methyl]-2,2-dimethyloxolane
CID 102714672
1-[4-[(5,5-dimethyloxolan-2-yl)methoxy]-3-methoxyphenyl]ethanone
CID 116521891

Frequently Asked Questions

What is the IUPAC name of 4-[(5,5-dimethyloxolan-2-yl)methoxy]-3-fluorobenzenesulfonamide?
The IUPAC name of 4-[(5,5-dimethyloxolan-2-yl)methoxy]-3-fluorobenzenesulfonamide (CID 116522475) is 4-[(5,5-dimethyloxolan-2-yl)methoxy]-3-fluorobenzenesulfonamide.
What is the SMILES notation for 4-[(5,5-dimethyloxolan-2-yl)methoxy]-3-fluorobenzenesulfonamide?
The canonical SMILES for 4-[(5,5-dimethyloxolan-2-yl)methoxy]-3-fluorobenzenesulfonamide is CC1(C)CCC(COc2ccc(S(N)(=O)=O)cc2F)O1.
What is the InChIKey of 4-[(5,5-dimethyloxolan-2-yl)methoxy]-3-fluorobenzenesulfonamide?
The InChIKey is IFIUHYYAYCHJLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO4S/c1-13(2)6-5-9(19-13)8-18-12-4-3-10(7-11(12)14)20(15,16)17/h3-4,7,9H,5-6,8H2,1-2H3,(H2,15,16,17).
What are the key properties of 4-[(5,5-dimethyloxolan-2-yl)methoxy]-3-fluorobenzenesulfonamide?
4-[(5,5-dimethyloxolan-2-yl)methoxy]-3-fluorobenzenesulfonamide has a molecular weight of 303.35 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5,5-dimethyloxolan-2-yl)methoxy]-3-fluorobenzenesulfonamide is sourced from PubChem (CID 116522475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).