4-(4,5-difluoro-2-methylphenoxy)benzenesulfonamide

C13H11F2NO3S — CID 114276763

IUPAC4-(4,5-difluoro-2-methylphenoxy)benzenesulfonamide
SMILESCc1cc(F)c(F)cc1Oc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C13H11F2NO3S/c1-8-6-11(14)12(15)7-13(8)19-9-2-4-10(5-3-9)20(16,17)18/h2-7H,1H3,(H2,16,17,18)
InChIKeyVMDRUURKQJUWDN-UHFFFAOYSA-N
MW299.30 g/mol
LogP2.71
Rot. Bonds3

About 4-(4,5-difluoro-2-methylphenoxy)benzenesulfonamide

4-(4,5-difluoro-2-methylphenoxy)benzenesulfonamide (PubChem CID 114276763) has the molecular formula C13H11F2NO3S and a molecular weight of 299.30 g/mol. Its IUPAC name is 4-(4,5-difluoro-2-methylphenoxy)benzenesulfonamide.

Molecular Properties

Compound Name4-(4,5-difluoro-2-methylphenoxy)benzenesulfonamide
PubChem CID114276763
Molecular FormulaC13H11F2NO3S
Molecular Weight299.30 g/mol
Exact Mass299.04
IUPAC Name4-(4,5-difluoro-2-methylphenoxy)benzenesulfonamide
SMILESCc1cc(F)c(F)cc1Oc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C13H11F2NO3S/c1-8-6-11(14)12(15)7-13(8)19-9-2-4-10(5-3-9)20(16,17)18/h2-7H,1H3,(H2,16,17,18)
InChIKeyVMDRUURKQJUWDN-UHFFFAOYSA-N
XLogP2.71
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-3-(4-fluoro-3-methylphenoxy)benzenesulfonamide
CID 82900296
4-(4-chloro-3,5-dimethylphenoxy)benzenesulfonamide
CID 43175694
4-(2-chloro-5-methylphenoxy)benzenesulfonamide
CID 43173861
4-(2,4-dichlorophenoxy)benzenesulfonamide
CID 43342686
4-methyl-2-(4-sulfamoylphenoxy)benzoic acid
CID 61395743
3-fluoro-4-(4-methylsulfonylphenoxy)aniline
CID 43806836
1-[3-bromo-4-(bromomethyl)phenoxy]-4,5-difluoro-2-methylbenzene
CID 114276748
1,2-difluoro-4-methyl-5-(3-methyl-4-propan-2-ylphenoxy)benzene
CID 177076482
4-(2-iodophenoxy)benzenesulfonamide
CID 43479680
4-(4-iodophenoxy)benzenesulfonamide
CID 43164749
methane;4-methylbenzenesulfonamide
CID 66673954
4-fluorobenzenesulfonamide;hydroiodide
CID 175106101

Frequently Asked Questions

What is the IUPAC name of 4-(4,5-difluoro-2-methylphenoxy)benzenesulfonamide?
The IUPAC name of 4-(4,5-difluoro-2-methylphenoxy)benzenesulfonamide (CID 114276763) is 4-(4,5-difluoro-2-methylphenoxy)benzenesulfonamide.
What is the SMILES notation for 4-(4,5-difluoro-2-methylphenoxy)benzenesulfonamide?
The canonical SMILES for 4-(4,5-difluoro-2-methylphenoxy)benzenesulfonamide is Cc1cc(F)c(F)cc1Oc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-(4,5-difluoro-2-methylphenoxy)benzenesulfonamide?
The InChIKey is VMDRUURKQJUWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2NO3S/c1-8-6-11(14)12(15)7-13(8)19-9-2-4-10(5-3-9)20(16,17)18/h2-7H,1H3,(H2,16,17,18).
What are the key properties of 4-(4,5-difluoro-2-methylphenoxy)benzenesulfonamide?
4-(4,5-difluoro-2-methylphenoxy)benzenesulfonamide has a molecular weight of 299.30 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5-difluoro-2-methylphenoxy)benzenesulfonamide is sourced from PubChem (CID 114276763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).