4-amino-3-[(6-methyl-3-pyridinyl)oxy]benzenesulfonamide

C12H13N3O3S — CID 82899040

IUPAC4-amino-3-[(6-methyl-3-pyridinyl)oxy]benzenesulfonamide
SMILESCc1ccc(Oc2cc(S(N)(=O)=O)ccc2N)cn1
InChIInChI=1S/C12H13N3O3S/c1-8-2-3-9(7-15-8)18-12-6-10(19(14,16)17)4-5-11(12)13/h2-7H,13H2,1H3,(H2,14,16,17)
InChIKeyAPNUSHOQAJLAKA-UHFFFAOYSA-N
MW279.32 g/mol
LogP1.41
Rot. Bonds3

About 4-amino-3-[(6-methyl-3-pyridinyl)oxy]benzenesulfonamide

4-amino-3-[(6-methyl-3-pyridinyl)oxy]benzenesulfonamide (PubChem CID 82899040) has the molecular formula C12H13N3O3S and a molecular weight of 279.32 g/mol. Its IUPAC name is 4-amino-3-[(6-methyl-3-pyridinyl)oxy]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-[(6-methyl-3-pyridinyl)oxy]benzenesulfonamide
PubChem CID82899040
Molecular FormulaC12H13N3O3S
Molecular Weight279.32 g/mol
Exact Mass279.07
IUPAC Name4-amino-3-[(6-methyl-3-pyridinyl)oxy]benzenesulfonamide
SMILESCc1ccc(Oc2cc(S(N)(=O)=O)ccc2N)cn1
InChIInChI=1S/C12H13N3O3S/c1-8-2-3-9(7-15-8)18-12-6-10(19(14,16)17)4-5-11(12)13/h2-7H,13H2,1H3,(H2,14,16,17)
InChIKeyAPNUSHOQAJLAKA-UHFFFAOYSA-N
XLogP1.41
TPSA108.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3-(4-fluoro-3-methylphenoxy)benzenesulfonamide
CID 82900296
4-amino-3-(3-bromo-4-fluorophenoxy)benzenesulfonamide
CID 83231994
4-amino-3-(4-bromo-3-fluorophenoxy)benzenesulfonamide
CID 82898332
5-chloro-2-[(6-methyl-3-pyridinyl)oxy]aniline
CID 62073920
4-amino-3-(2-methoxyphenoxy)benzenesulfonamide
CID 82899200
6-methyl-2-[(6-methyl-3-pyridinyl)oxy]pyridin-3-amine
CID 81132734
2-amino-4-fluoro-5-[(6-methyl-3-pyridinyl)oxy]benzamide
CID 62059169
4-amino-3-(3,4-dimethylphenoxy)-N-methylbenzenesulfonamide
CID 82902916
methyl 2-amino-5-[(6-methyl-3-pyridinyl)oxy]benzoate
CID 62058841
4-amino-3-(2-ethoxyethoxy)benzenesulfonamide
CID 82900278
4-amino-3-hexoxybenzenesulfonamide
CID 82898886
methyl 2-amino-4-fluoro-5-[(6-methyl-3-pyridinyl)oxy]benzoate
CID 62059326

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[(6-methyl-3-pyridinyl)oxy]benzenesulfonamide?
The IUPAC name of 4-amino-3-[(6-methyl-3-pyridinyl)oxy]benzenesulfonamide (CID 82899040) is 4-amino-3-[(6-methyl-3-pyridinyl)oxy]benzenesulfonamide.
What is the SMILES notation for 4-amino-3-[(6-methyl-3-pyridinyl)oxy]benzenesulfonamide?
The canonical SMILES for 4-amino-3-[(6-methyl-3-pyridinyl)oxy]benzenesulfonamide is Cc1ccc(Oc2cc(S(N)(=O)=O)ccc2N)cn1.
What is the InChIKey of 4-amino-3-[(6-methyl-3-pyridinyl)oxy]benzenesulfonamide?
The InChIKey is APNUSHOQAJLAKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3S/c1-8-2-3-9(7-15-8)18-12-6-10(19(14,16)17)4-5-11(12)13/h2-7H,13H2,1H3,(H2,14,16,17).
What are the key properties of 4-amino-3-[(6-methyl-3-pyridinyl)oxy]benzenesulfonamide?
4-amino-3-[(6-methyl-3-pyridinyl)oxy]benzenesulfonamide has a molecular weight of 279.32 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[(6-methyl-3-pyridinyl)oxy]benzenesulfonamide is sourced from PubChem (CID 82899040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).