4-[(2,6-difluorophenyl)methoxy]benzenesulfonamide

C13H11F2NO3S — CID 103981147

IUPAC4-[(2,6-difluorophenyl)methoxy]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(OCc2c(F)cccc2F)cc1
InChIInChI=1S/C13H11F2NO3S/c14-12-2-1-3-13(15)11(12)8-19-9-4-6-10(7-5-9)20(16,17)18/h1-7H,8H2,(H2,16,17,18)
InChIKeyHMUOWUGCHOUYGD-UHFFFAOYSA-N
MW299.30 g/mol
LogP2.19
Rot. Bonds4

About 4-[(2,6-difluorophenyl)methoxy]benzenesulfonamide

4-[(2,6-difluorophenyl)methoxy]benzenesulfonamide (PubChem CID 103981147) has the molecular formula C13H11F2NO3S and a molecular weight of 299.30 g/mol. Its IUPAC name is 4-[(2,6-difluorophenyl)methoxy]benzenesulfonamide.

Molecular Properties

Compound Name4-[(2,6-difluorophenyl)methoxy]benzenesulfonamide
PubChem CID103981147
Molecular FormulaC13H11F2NO3S
Molecular Weight299.30 g/mol
Exact Mass299.04
IUPAC Name4-[(2,6-difluorophenyl)methoxy]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(OCc2c(F)cccc2F)cc1
InChIInChI=1S/C13H11F2NO3S/c14-12-2-1-3-13(15)11(12)8-19-9-4-6-10(7-5-9)20(16,17)18/h1-7H,8H2,(H2,16,17,18)
InChIKeyHMUOWUGCHOUYGD-UHFFFAOYSA-N
XLogP2.19
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-fluorophenyl)methoxy]benzenesulfonamide
CID 43342474
4-[(2-methylphenyl)methoxy]benzenesulfonamide
CID 43164522
4-(2,2-difluoroethoxy)benzenesulfonamide
CID 60923217
2-[(2,6-difluorophenyl)methoxy]-5-methylbenzenesulfonamide
CID 114930658
4-[4-[(2,6-difluorophenyl)methoxy]phenyl]butan-2-one
CID 103990814
[2-fluoro-6-(4-methylsulfonylphenoxy)phenyl]methanamine
CID 79517826
4-[(2,6-difluorophenyl)methoxy]-3-methylbenzenesulfonyl chloride
CID 114930150
2-[(3,4-difluorophenoxy)methyl]-3-fluoroaniline
CID 63331973
3-fluoro-2-(phenoxymethyl)benzoic acid
CID 67133785
4-(2-fluoro-6-hydroxyphenyl)benzenesulfonamide
CID 175861205
6-[(2,6-difluorophenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one
CID 103981660
(NZ)-N-[1-[4-[(2,6-difluorophenyl)methoxy]phenyl]propan-2-ylidene]hydroxylamine
CID 114930385

Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-difluorophenyl)methoxy]benzenesulfonamide?
The IUPAC name of 4-[(2,6-difluorophenyl)methoxy]benzenesulfonamide (CID 103981147) is 4-[(2,6-difluorophenyl)methoxy]benzenesulfonamide.
What is the SMILES notation for 4-[(2,6-difluorophenyl)methoxy]benzenesulfonamide?
The canonical SMILES for 4-[(2,6-difluorophenyl)methoxy]benzenesulfonamide is NS(=O)(=O)c1ccc(OCc2c(F)cccc2F)cc1.
What is the InChIKey of 4-[(2,6-difluorophenyl)methoxy]benzenesulfonamide?
The InChIKey is HMUOWUGCHOUYGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2NO3S/c14-12-2-1-3-13(15)11(12)8-19-9-4-6-10(7-5-9)20(16,17)18/h1-7H,8H2,(H2,16,17,18).
What are the key properties of 4-[(2,6-difluorophenyl)methoxy]benzenesulfonamide?
4-[(2,6-difluorophenyl)methoxy]benzenesulfonamide has a molecular weight of 299.30 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-difluorophenyl)methoxy]benzenesulfonamide is sourced from PubChem (CID 103981147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).