4-(2,2-difluoroethoxy)benzenesulfonamide

C8H9F2NO3S — CID 60923217

IUPAC4-(2,2-difluoroethoxy)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(OCC(F)F)cc1
InChIInChI=1S/C8H9F2NO3S/c9-8(10)5-14-6-1-3-7(4-2-6)15(11,12)13/h1-4,8H,5H2,(H2,11,12,13)
InChIKeyPEDQBXDETFRGTM-UHFFFAOYSA-N
MW237.23 g/mol
LogP0.98
Rot. Bonds4

About 4-(2,2-difluoroethoxy)benzenesulfonamide

4-(2,2-difluoroethoxy)benzenesulfonamide (PubChem CID 60923217) has the molecular formula C8H9F2NO3S and a molecular weight of 237.23 g/mol. Its IUPAC name is 4-(2,2-difluoroethoxy)benzenesulfonamide.

Molecular Properties

Compound Name4-(2,2-difluoroethoxy)benzenesulfonamide
PubChem CID60923217
Molecular FormulaC8H9F2NO3S
Molecular Weight237.23 g/mol
Exact Mass237.03
IUPAC Name4-(2,2-difluoroethoxy)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(OCC(F)F)cc1
InChIInChI=1S/C8H9F2NO3S/c9-8(10)5-14-6-1-3-7(4-2-6)15(11,12)13/h1-4,8H,5H2,(H2,11,12,13)
InChIKeyPEDQBXDETFRGTM-UHFFFAOYSA-N
XLogP0.98
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.23
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,2-difluoroethoxy)-N-[2-(methylamino)propyl]benzenesulfonamide
CID 120824764
4-[(4-fluorophenyl)methoxy]benzenesulfonamide
CID 43342474
4-[(2,6-difluorophenyl)methoxy]benzenesulfonamide
CID 103981147
4-[(E)-3-chloroprop-2-enoxy]benzenesulfonamide
CID 81435717
4-[2-(dimethylamino)ethoxy]benzenesulfonamide
CID 22244704
4-(4-propoxyphenoxy)benzenesulfonamide
CID 43342703
N-(2-amino-1-cyclohexylethyl)-4-(2,2-difluoroethoxy)benzenesulfonamide
CID 120710791
4-aminobenzenesulfonamide;fluoroform
CID 121362415
N-[(2S)-1-cyanopropan-2-yl]-4-(2,2-difluoroethoxy)-N-methylbenzenesulfonamide
CID 97350959
N-[(2R)-1-cyanopropan-2-yl]-4-(2,2-difluoroethoxy)-N-methylbenzenesulfonamide
CID 97350960
1-(bromomethyl)-4-(2,2-difluoroethoxy)benzene
CID 60921505
4-(4-sulfamoylphenoxy)butanoic acid
CID 43164527

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoroethoxy)benzenesulfonamide?
The IUPAC name of 4-(2,2-difluoroethoxy)benzenesulfonamide (CID 60923217) is 4-(2,2-difluoroethoxy)benzenesulfonamide.
What is the SMILES notation for 4-(2,2-difluoroethoxy)benzenesulfonamide?
The canonical SMILES for 4-(2,2-difluoroethoxy)benzenesulfonamide is NS(=O)(=O)c1ccc(OCC(F)F)cc1.
What is the InChIKey of 4-(2,2-difluoroethoxy)benzenesulfonamide?
The InChIKey is PEDQBXDETFRGTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2NO3S/c9-8(10)5-14-6-1-3-7(4-2-6)15(11,12)13/h1-4,8H,5H2,(H2,11,12,13).
What are the key properties of 4-(2,2-difluoroethoxy)benzenesulfonamide?
4-(2,2-difluoroethoxy)benzenesulfonamide has a molecular weight of 237.23 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoroethoxy)benzenesulfonamide is sourced from PubChem (CID 60923217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).