3-(2-methoxyphenyl)sulfonylpyridine-2,6-diamine

C12H13N3O3S — CID 175083546

IUPAC3-(2-methoxyphenyl)sulfonylpyridine-2,6-diamine
SMILESCOc1ccccc1S(=O)(=O)c1ccc(N)nc1N
InChIInChI=1S/C12H13N3O3S/c1-18-8-4-2-3-5-9(8)19(16,17)10-6-7-11(13)15-12(10)14/h2-7H,1H3,(H4,13,14,15)
InChIKeyDFDRKKPGYVXRSE-UHFFFAOYSA-N
MW279.32 g/mol
LogP1.09
Rot. Bonds3

About 3-(2-methoxyphenyl)sulfonylpyridine-2,6-diamine

3-(2-methoxyphenyl)sulfonylpyridine-2,6-diamine (PubChem CID 175083546) has the molecular formula C12H13N3O3S and a molecular weight of 279.32 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)sulfonylpyridine-2,6-diamine.

Molecular Properties

Compound Name3-(2-methoxyphenyl)sulfonylpyridine-2,6-diamine
PubChem CID175083546
Molecular FormulaC12H13N3O3S
Molecular Weight279.32 g/mol
Exact Mass279.07
IUPAC Name3-(2-methoxyphenyl)sulfonylpyridine-2,6-diamine
SMILESCOc1ccccc1S(=O)(=O)c1ccc(N)nc1N
InChIInChI=1S/C12H13N3O3S/c1-18-8-4-2-3-5-9(8)19(16,17)10-6-7-11(13)15-12(10)14/h2-7H,1H3,(H4,13,14,15)
InChIKeyDFDRKKPGYVXRSE-UHFFFAOYSA-N
XLogP1.09
TPSA108.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)sulfonylpyridine-2,6-diamine?
The IUPAC name of 3-(2-methoxyphenyl)sulfonylpyridine-2,6-diamine (CID 175083546) is 3-(2-methoxyphenyl)sulfonylpyridine-2,6-diamine.
What is the SMILES notation for 3-(2-methoxyphenyl)sulfonylpyridine-2,6-diamine?
The canonical SMILES for 3-(2-methoxyphenyl)sulfonylpyridine-2,6-diamine is COc1ccccc1S(=O)(=O)c1ccc(N)nc1N.
What is the InChIKey of 3-(2-methoxyphenyl)sulfonylpyridine-2,6-diamine?
The InChIKey is DFDRKKPGYVXRSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3S/c1-18-8-4-2-3-5-9(8)19(16,17)10-6-7-11(13)15-12(10)14/h2-7H,1H3,(H4,13,14,15).
What are the key properties of 3-(2-methoxyphenyl)sulfonylpyridine-2,6-diamine?
3-(2-methoxyphenyl)sulfonylpyridine-2,6-diamine has a molecular weight of 279.32 g/mol, XLogP of 1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)sulfonylpyridine-2,6-diamine is sourced from PubChem (CID 175083546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).