4-(2-bicyclo[2.2.1]heptanylmethoxy)-3,5-difluorobenzenesulfonamide

C14H17F2NO3S — CID 81264869

IUPAC4-(2-bicyclo[2.2.1]heptanylmethoxy)-3,5-difluorobenzenesulfonamide
SMILESNS(=O)(=O)c1cc(F)c(OCC2CC3CCC2C3)c(F)c1
InChIInChI=1S/C14H17F2NO3S/c15-12-5-11(21(17,18)19)6-13(16)14(12)20-7-10-4-8-1-2-9(10)3-8/h5-6,8-10H,1-4,7H2,(H2,17,18,19)
InChIKeyTYJSHSSXQREERY-UHFFFAOYSA-N
MW317.36 g/mol
LogP2.43
Rot. Bonds4

About 4-(2-bicyclo[2.2.1]heptanylmethoxy)-3,5-difluorobenzenesulfonamide

4-(2-bicyclo[2.2.1]heptanylmethoxy)-3,5-difluorobenzenesulfonamide (PubChem CID 81264869) has the molecular formula C14H17F2NO3S and a molecular weight of 317.36 g/mol. Its IUPAC name is 4-(2-bicyclo[2.2.1]heptanylmethoxy)-3,5-difluorobenzenesulfonamide.

Molecular Properties

Compound Name4-(2-bicyclo[2.2.1]heptanylmethoxy)-3,5-difluorobenzenesulfonamide
PubChem CID81264869
Molecular FormulaC14H17F2NO3S
Molecular Weight317.36 g/mol
Exact Mass317.09
IUPAC Name4-(2-bicyclo[2.2.1]heptanylmethoxy)-3,5-difluorobenzenesulfonamide
SMILESNS(=O)(=O)c1cc(F)c(OCC2CC3CCC2C3)c(F)c1
InChIInChI=1S/C14H17F2NO3S/c15-12-5-11(21(17,18)19)6-13(16)14(12)20-7-10-4-8-1-2-9(10)3-8/h5-6,8-10H,1-4,7H2,(H2,17,18,19)
InChIKeyTYJSHSSXQREERY-UHFFFAOYSA-N
XLogP2.43
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(2-bicyclo[2.2.1]heptanylmethoxy)-3,5-difluorobenzenesulfonamide with MolForge

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Related Compounds

4-(2-bicyclo[2.2.1]heptanylmethoxy)-3-fluorobenzenesulfonamide
CID 79558786
[4-(2-bicyclo[2.2.1]heptanylmethoxy)-3,5-difluorophenyl]methanol
CID 79887957
4-(2-bicyclo[2.2.1]heptanylmethoxy)-2,6-dimethylbenzenesulfonyl chloride
CID 79562208
3-amino-5-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]benzenesulfonamide
CID 63681887
2-(2-bicyclo[2.2.1]heptanylmethoxy)-4-fluorobenzoic acid
CID 107014523
N-cyclopropyl-3-(2,6-difluoro-4-sulfamoylphenoxy)propanamide
CID 82916178
2-[4-(2-bicyclo[2.2.1]heptanylmethoxy)-3-bromophenyl]ethanamine
CID 79563052
2-[[2-bromo-6-(bromomethyl)phenoxy]methyl]bicyclo[2.2.1]heptane
CID 79559319
4-(2-bicyclo[2.2.1]heptanylmethoxy)-5-chloro-2-fluoro-N-methylsulfonylbenzamide
CID 91809358
2-[2-(2-bicyclo[2.2.1]heptanylmethoxy)-3-methylphenyl]ethanamine
CID 112614818
4-(2-bicyclo[2.2.1]heptanylmethoxy)-2,5-dimethylaniline
CID 79554738
4-(2-bicyclo[2.2.1]heptanylmethoxy)-3-bromo-5-ethoxybenzaldehyde
CID 79562638

Frequently Asked Questions

What is the IUPAC name of 4-(2-bicyclo[2.2.1]heptanylmethoxy)-3,5-difluorobenzenesulfonamide?
The IUPAC name of 4-(2-bicyclo[2.2.1]heptanylmethoxy)-3,5-difluorobenzenesulfonamide (CID 81264869) is 4-(2-bicyclo[2.2.1]heptanylmethoxy)-3,5-difluorobenzenesulfonamide.
What is the SMILES notation for 4-(2-bicyclo[2.2.1]heptanylmethoxy)-3,5-difluorobenzenesulfonamide?
The canonical SMILES for 4-(2-bicyclo[2.2.1]heptanylmethoxy)-3,5-difluorobenzenesulfonamide is NS(=O)(=O)c1cc(F)c(OCC2CC3CCC2C3)c(F)c1.
What is the InChIKey of 4-(2-bicyclo[2.2.1]heptanylmethoxy)-3,5-difluorobenzenesulfonamide?
The InChIKey is TYJSHSSXQREERY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2NO3S/c15-12-5-11(21(17,18)19)6-13(16)14(12)20-7-10-4-8-1-2-9(10)3-8/h5-6,8-10H,1-4,7H2,(H2,17,18,19).
What are the key properties of 4-(2-bicyclo[2.2.1]heptanylmethoxy)-3,5-difluorobenzenesulfonamide?
4-(2-bicyclo[2.2.1]heptanylmethoxy)-3,5-difluorobenzenesulfonamide has a molecular weight of 317.36 g/mol, XLogP of 2.43, 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)-3,5-difluorobenzenesulfonamide is sourced from PubChem (CID 81264869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).