6,8-dihydroxy-N-(3-hydroxy-2-pyridinyl)-5-methylnaphthalene-2-sulfonamide

C16H14N2O5S — CID 21022826

IUPAC6,8-dihydroxy-N-(3-hydroxy-2-pyridinyl)-5-methylnaphthalene-2-sulfonamide
SMILESCc1c(O)cc(O)c2cc(S(=O)(=O)Nc3ncccc3O)ccc12
InChIInChI=1S/C16H14N2O5S/c1-9-11-5-4-10(7-12(11)15(21)8-14(9)20)24(22,23)18-16-13(19)3-2-6-17-16/h2-8,19-21H,1H3,(H,17,18)
InChIKeySYTOKYPJRLUAOB-UHFFFAOYSA-N
MW346.36 g/mol
LogP2.46
Rot. Bonds3

About 6,8-dihydroxy-N-(3-hydroxy-2-pyridinyl)-5-methylnaphthalene-2-sulfonamide

6,8-dihydroxy-N-(3-hydroxy-2-pyridinyl)-5-methylnaphthalene-2-sulfonamide (PubChem CID 21022826) has the molecular formula C16H14N2O5S and a molecular weight of 346.36 g/mol. Its IUPAC name is 6,8-dihydroxy-N-(3-hydroxy-2-pyridinyl)-5-methylnaphthalene-2-sulfonamide.

Molecular Properties

Compound Name6,8-dihydroxy-N-(3-hydroxy-2-pyridinyl)-5-methylnaphthalene-2-sulfonamide
PubChem CID21022826
Molecular FormulaC16H14N2O5S
Molecular Weight346.36 g/mol
Exact Mass346.06
IUPAC Name6,8-dihydroxy-N-(3-hydroxy-2-pyridinyl)-5-methylnaphthalene-2-sulfonamide
SMILESCc1c(O)cc(O)c2cc(S(=O)(=O)Nc3ncccc3O)ccc12
InChIInChI=1S/C16H14N2O5S/c1-9-11-5-4-10(7-12(11)15(21)8-14(9)20)24(22,23)18-16-13(19)3-2-6-17-16/h2-8,19-21H,1H3,(H,17,18)
InChIKeySYTOKYPJRLUAOB-UHFFFAOYSA-N
XLogP2.46
TPSA119.75 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 52.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6,8-dihydroxy-N-(3-hydroxy-2-pyridinyl)-5-methylnaphthalene-2-sulfonamide?
The IUPAC name of 6,8-dihydroxy-N-(3-hydroxy-2-pyridinyl)-5-methylnaphthalene-2-sulfonamide (CID 21022826) is 6,8-dihydroxy-N-(3-hydroxy-2-pyridinyl)-5-methylnaphthalene-2-sulfonamide.
What is the SMILES notation for 6,8-dihydroxy-N-(3-hydroxy-2-pyridinyl)-5-methylnaphthalene-2-sulfonamide?
The canonical SMILES for 6,8-dihydroxy-N-(3-hydroxy-2-pyridinyl)-5-methylnaphthalene-2-sulfonamide is Cc1c(O)cc(O)c2cc(S(=O)(=O)Nc3ncccc3O)ccc12.
What is the InChIKey of 6,8-dihydroxy-N-(3-hydroxy-2-pyridinyl)-5-methylnaphthalene-2-sulfonamide?
The InChIKey is SYTOKYPJRLUAOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O5S/c1-9-11-5-4-10(7-12(11)15(21)8-14(9)20)24(22,23)18-16-13(19)3-2-6-17-16/h2-8,19-21H,1H3,(H,17,18).
What are the key properties of 6,8-dihydroxy-N-(3-hydroxy-2-pyridinyl)-5-methylnaphthalene-2-sulfonamide?
6,8-dihydroxy-N-(3-hydroxy-2-pyridinyl)-5-methylnaphthalene-2-sulfonamide has a molecular weight of 346.36 g/mol, XLogP of 2.46, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dihydroxy-N-(3-hydroxy-2-pyridinyl)-5-methylnaphthalene-2-sulfonamide is sourced from PubChem (CID 21022826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).