2-[(2,3-difluorophenoxy)methyl]butane-1-sulfonamide

C11H15F2NO3S — CID 64998716

IUPAC2-[(2,3-difluorophenoxy)methyl]butane-1-sulfonamide
SMILESCCC(COc1cccc(F)c1F)CS(N)(=O)=O
InChIInChI=1S/C11H15F2NO3S/c1-2-8(7-18(14,15)16)6-17-10-5-3-4-9(12)11(10)13/h3-5,8H,2,6-7H2,1H3,(H2,14,15,16)
InChIKeyJOLZLBSSGBLIFM-UHFFFAOYSA-N
MW279.31 g/mol
LogP1.66
Rot. Bonds6

About 2-[(2,3-difluorophenoxy)methyl]butane-1-sulfonamide

2-[(2,3-difluorophenoxy)methyl]butane-1-sulfonamide (PubChem CID 64998716) has the molecular formula C11H15F2NO3S and a molecular weight of 279.31 g/mol. Its IUPAC name is 2-[(2,3-difluorophenoxy)methyl]butane-1-sulfonamide.

Molecular Properties

Compound Name2-[(2,3-difluorophenoxy)methyl]butane-1-sulfonamide
PubChem CID64998716
Molecular FormulaC11H15F2NO3S
Molecular Weight279.31 g/mol
Exact Mass279.07
IUPAC Name2-[(2,3-difluorophenoxy)methyl]butane-1-sulfonamide
SMILESCCC(COc1cccc(F)c1F)CS(N)(=O)=O
InChIInChI=1S/C11H15F2NO3S/c1-2-8(7-18(14,15)16)6-17-10-5-3-4-9(12)11(10)13/h3-5,8H,2,6-7H2,1H3,(H2,14,15,16)
InChIKeyJOLZLBSSGBLIFM-UHFFFAOYSA-N
XLogP1.66
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(2,3-difluorophenoxy)methyl]butane-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2-cyanophenoxy)methyl]butane-1-sulfonamide
CID 64999832
(2R)-1-(2,3-difluorophenoxy)propan-2-amine
CID 79006344
2-[(4-fluorophenoxy)methyl]pentane-1-sulfonamide
CID 65012609
ethyl 2-amino-3-(2,3-difluorophenoxy)propanoate
CID 55144001
2-[(2-methylphenoxy)methyl]pentane-1-sulfonamide
CID 65012608
2-(2,3-difluorophenoxy)-1-(4-ethylphenyl)ethanamine
CID 63036402
2-[(2-fluorophenoxy)methyl]-3,3-dimethylbutane-1-sulfonamide
CID 65015618
2-(2,3-difluorophenoxy)-1-(4-methylsulfonylphenyl)ethanol
CID 109416073
1-(2,3-difluorophenoxy)-3,3-dimethylbutan-2-amine
CID 63037624
1,2-difluoro-3-(2-fluorooctoxy)benzene
CID 57225933
2-(quinolin-8-yloxymethyl)pentane-1-sulfonamide
CID 65012972
2-[(2-fluoro-3-methylphenoxy)methyl]pentane-1-sulfonyl chloride
CID 107661808

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-difluorophenoxy)methyl]butane-1-sulfonamide?
The IUPAC name of 2-[(2,3-difluorophenoxy)methyl]butane-1-sulfonamide (CID 64998716) is 2-[(2,3-difluorophenoxy)methyl]butane-1-sulfonamide.
What is the SMILES notation for 2-[(2,3-difluorophenoxy)methyl]butane-1-sulfonamide?
The canonical SMILES for 2-[(2,3-difluorophenoxy)methyl]butane-1-sulfonamide is CCC(COc1cccc(F)c1F)CS(N)(=O)=O.
What is the InChIKey of 2-[(2,3-difluorophenoxy)methyl]butane-1-sulfonamide?
The InChIKey is JOLZLBSSGBLIFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO3S/c1-2-8(7-18(14,15)16)6-17-10-5-3-4-9(12)11(10)13/h3-5,8H,2,6-7H2,1H3,(H2,14,15,16).
What are the key properties of 2-[(2,3-difluorophenoxy)methyl]butane-1-sulfonamide?
2-[(2,3-difluorophenoxy)methyl]butane-1-sulfonamide has a molecular weight of 279.31 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-difluorophenoxy)methyl]butane-1-sulfonamide is sourced from PubChem (CID 64998716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).