4-(2-bicyclo[2.2.1]heptanylmethoxy)-3-fluorobenzenesulfonamide

C14H18FNO3S — CID 79558786

IUPAC4-(2-bicyclo[2.2.1]heptanylmethoxy)-3-fluorobenzenesulfonamide
SMILESNS(=O)(=O)c1ccc(OCC2CC3CCC2C3)c(F)c1
InChIInChI=1S/C14H18FNO3S/c15-13-7-12(20(16,17)18)3-4-14(13)19-8-11-6-9-1-2-10(11)5-9/h3-4,7,9-11H,1-2,5-6,8H2,(H2,16,17,18)
InChIKeyPPVYMUPWYXUHNB-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.29
Rot. Bonds4

About 4-(2-bicyclo[2.2.1]heptanylmethoxy)-3-fluorobenzenesulfonamide

4-(2-bicyclo[2.2.1]heptanylmethoxy)-3-fluorobenzenesulfonamide (PubChem CID 79558786) has the molecular formula C14H18FNO3S and a molecular weight of 299.37 g/mol. Its IUPAC name is 4-(2-bicyclo[2.2.1]heptanylmethoxy)-3-fluorobenzenesulfonamide.

Molecular Properties

Compound Name4-(2-bicyclo[2.2.1]heptanylmethoxy)-3-fluorobenzenesulfonamide
PubChem CID79558786
Molecular FormulaC14H18FNO3S
Molecular Weight299.37 g/mol
Exact Mass299.10
IUPAC Name4-(2-bicyclo[2.2.1]heptanylmethoxy)-3-fluorobenzenesulfonamide
SMILESNS(=O)(=O)c1ccc(OCC2CC3CCC2C3)c(F)c1
InChIInChI=1S/C14H18FNO3S/c15-13-7-12(20(16,17)18)3-4-14(13)19-8-11-6-9-1-2-10(11)5-9/h3-4,7,9-11H,1-2,5-6,8H2,(H2,16,17,18)
InChIKeyPPVYMUPWYXUHNB-UHFFFAOYSA-N
XLogP2.29
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-bicyclo[2.2.1]heptanylmethoxy)-3,5-difluorobenzenesulfonamide
CID 81264869
4-(cyclohexylmethoxy)-3-fluorobenzenesulfonamide
CID 43164449
2-[4-(2-bicyclo[2.2.1]heptanylmethoxy)-3-bromophenyl]ethanamine
CID 79563052
4-ethoxy-3-fluorobenzenesulfonamide
CID 43164444
4-[(5,5-dimethyloxolan-2-yl)methoxy]-3-fluorobenzenesulfonamide
CID 116522475
2-(2-bicyclo[2.2.1]heptanylmethoxy)-4-fluorobenzoic acid
CID 107014523
3-fluoro-4-(3-fluoropropoxy)benzenesulfonamide
CID 81113749
4-(2-bicyclo[2.2.1]heptanyloxy)-3-chlorobenzenesulfonamide
CID 114245701
4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-3-fluorobenzenesulfonamide
CID 82913730
2-[[3-bromo-4-(trifluoromethoxy)phenoxy]methyl]bicyclo[2.2.1]heptane
CID 102714629
1-[2-(2-bicyclo[2.2.1]heptanylmethoxy)-5-fluorophenyl]butan-2-amine
CID 107701303
[2-(2-bicyclo[2.2.1]heptanylmethoxy)phenyl]methanamine
CID 79554484

Frequently Asked Questions

What is the IUPAC name of 4-(2-bicyclo[2.2.1]heptanylmethoxy)-3-fluorobenzenesulfonamide?
The IUPAC name of 4-(2-bicyclo[2.2.1]heptanylmethoxy)-3-fluorobenzenesulfonamide (CID 79558786) is 4-(2-bicyclo[2.2.1]heptanylmethoxy)-3-fluorobenzenesulfonamide.
What is the SMILES notation for 4-(2-bicyclo[2.2.1]heptanylmethoxy)-3-fluorobenzenesulfonamide?
The canonical SMILES for 4-(2-bicyclo[2.2.1]heptanylmethoxy)-3-fluorobenzenesulfonamide is NS(=O)(=O)c1ccc(OCC2CC3CCC2C3)c(F)c1.
What is the InChIKey of 4-(2-bicyclo[2.2.1]heptanylmethoxy)-3-fluorobenzenesulfonamide?
The InChIKey is PPVYMUPWYXUHNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO3S/c15-13-7-12(20(16,17)18)3-4-14(13)19-8-11-6-9-1-2-10(11)5-9/h3-4,7,9-11H,1-2,5-6,8H2,(H2,16,17,18).
What are the key properties of 4-(2-bicyclo[2.2.1]heptanylmethoxy)-3-fluorobenzenesulfonamide?
4-(2-bicyclo[2.2.1]heptanylmethoxy)-3-fluorobenzenesulfonamide has a molecular weight of 299.37 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bicyclo[2.2.1]heptanylmethoxy)-3-fluorobenzenesulfonamide is sourced from PubChem (CID 79558786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).