4-amino-3-(4-fluoro-3-methylphenoxy)benzenesulfonamide

C13H13FN2O3S — CID 82900296

IUPAC4-amino-3-(4-fluoro-3-methylphenoxy)benzenesulfonamide
SMILESCc1cc(Oc2cc(S(N)(=O)=O)ccc2N)ccc1F
InChIInChI=1S/C13H13FN2O3S/c1-8-6-9(2-4-11(8)14)19-13-7-10(20(16,17)18)3-5-12(13)15/h2-7H,15H2,1H3,(H2,16,17,18)
InChIKeyUZZAZIOOXQLUEO-UHFFFAOYSA-N
MW296.32 g/mol
LogP2.16
Rot. Bonds3

About 4-amino-3-(4-fluoro-3-methylphenoxy)benzenesulfonamide

4-amino-3-(4-fluoro-3-methylphenoxy)benzenesulfonamide (PubChem CID 82900296) has the molecular formula C13H13FN2O3S and a molecular weight of 296.32 g/mol. Its IUPAC name is 4-amino-3-(4-fluoro-3-methylphenoxy)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-(4-fluoro-3-methylphenoxy)benzenesulfonamide
PubChem CID82900296
Molecular FormulaC13H13FN2O3S
Molecular Weight296.32 g/mol
Exact Mass296.06
IUPAC Name4-amino-3-(4-fluoro-3-methylphenoxy)benzenesulfonamide
SMILESCc1cc(Oc2cc(S(N)(=O)=O)ccc2N)ccc1F
InChIInChI=1S/C13H13FN2O3S/c1-8-6-9(2-4-11(8)14)19-13-7-10(20(16,17)18)3-5-12(13)15/h2-7H,15H2,1H3,(H2,16,17,18)
InChIKeyUZZAZIOOXQLUEO-UHFFFAOYSA-N
XLogP2.16
TPSA95.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-3-(3-bromo-4-fluorophenoxy)benzenesulfonamide
CID 83231994
4-amino-3-(4-bromo-3-fluorophenoxy)benzenesulfonamide
CID 82898332
4-amino-3-[(6-methyl-3-pyridinyl)oxy]benzenesulfonamide
CID 82899040
4-(4,5-difluoro-2-methylphenoxy)benzenesulfonamide
CID 114276763
4-amino-3-(3,4-dimethylphenoxy)-N-methylbenzenesulfonamide
CID 82902916
4-amino-3-(2-bromo-4-fluorophenoxy)benzenesulfonamide
CID 82898480
4-amino-3-(2-methoxyphenoxy)benzenesulfonamide
CID 82899200
4-(2,5-difluorophenoxy)-2-methylaniline
CID 63268652
4-(2-fluorophenoxy)-2-methylaniline
CID 26190288
4-(3,4-dimethylphenoxy)-3-(methylaminomethyl)benzenesulfonamide
CID 44609064
5-amino-3-(3,4-difluorophenoxy)-2-methylbenzenesulfonamide
CID 79902338
3-(methoxymethyl)-4-(3-methyl-4-methylsulfanylphenoxy)benzenesulfonamide
CID 44609060

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(4-fluoro-3-methylphenoxy)benzenesulfonamide?
The IUPAC name of 4-amino-3-(4-fluoro-3-methylphenoxy)benzenesulfonamide (CID 82900296) is 4-amino-3-(4-fluoro-3-methylphenoxy)benzenesulfonamide.
What is the SMILES notation for 4-amino-3-(4-fluoro-3-methylphenoxy)benzenesulfonamide?
The canonical SMILES for 4-amino-3-(4-fluoro-3-methylphenoxy)benzenesulfonamide is Cc1cc(Oc2cc(S(N)(=O)=O)ccc2N)ccc1F.
What is the InChIKey of 4-amino-3-(4-fluoro-3-methylphenoxy)benzenesulfonamide?
The InChIKey is UZZAZIOOXQLUEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O3S/c1-8-6-9(2-4-11(8)14)19-13-7-10(20(16,17)18)3-5-12(13)15/h2-7H,15H2,1H3,(H2,16,17,18).
What are the key properties of 4-amino-3-(4-fluoro-3-methylphenoxy)benzenesulfonamide?
4-amino-3-(4-fluoro-3-methylphenoxy)benzenesulfonamide has a molecular weight of 296.32 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(4-fluoro-3-methylphenoxy)benzenesulfonamide is sourced from PubChem (CID 82900296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).