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

C16H15N3O4S — CID 21022874

IUPAC8-amino-6-hydroxy-N-(3-hydroxy-2-pyridinyl)-5-methylnaphthalene-2-sulfonamide
SMILESCc1c(O)cc(N)c2cc(S(=O)(=O)Nc3ncccc3O)ccc12
InChIInChI=1S/C16H15N3O4S/c1-9-11-5-4-10(7-12(11)13(17)8-15(9)21)24(22,23)19-16-14(20)3-2-6-18-16/h2-8,20-21H,17H2,1H3,(H,18,19)
InChIKeyURCFFUNHEGUWAU-UHFFFAOYSA-N
MW345.38 g/mol
LogP2.34
Rot. Bonds3

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

8-amino-6-hydroxy-N-(3-hydroxy-2-pyridinyl)-5-methylnaphthalene-2-sulfonamide (PubChem CID 21022874) has the molecular formula C16H15N3O4S and a molecular weight of 345.38 g/mol. Its IUPAC name is 8-amino-6-hydroxy-N-(3-hydroxy-2-pyridinyl)-5-methylnaphthalene-2-sulfonamide.

Molecular Properties

Compound Name8-amino-6-hydroxy-N-(3-hydroxy-2-pyridinyl)-5-methylnaphthalene-2-sulfonamide
PubChem CID21022874
Molecular FormulaC16H15N3O4S
Molecular Weight345.38 g/mol
Exact Mass345.08
IUPAC Name8-amino-6-hydroxy-N-(3-hydroxy-2-pyridinyl)-5-methylnaphthalene-2-sulfonamide
SMILESCc1c(O)cc(N)c2cc(S(=O)(=O)Nc3ncccc3O)ccc12
InChIInChI=1S/C16H15N3O4S/c1-9-11-5-4-10(7-12(11)13(17)8-15(9)21)24(22,23)19-16-14(20)3-2-6-18-16/h2-8,20-21H,17H2,1H3,(H,18,19)
InChIKeyURCFFUNHEGUWAU-UHFFFAOYSA-N
XLogP2.34
TPSA125.54 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 52.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-amino-6-hydroxy-N-(3-hydroxy-2-pyridinyl)-5-methylnaphthalene-2-sulfonamide?
The IUPAC name of 8-amino-6-hydroxy-N-(3-hydroxy-2-pyridinyl)-5-methylnaphthalene-2-sulfonamide (CID 21022874) is 8-amino-6-hydroxy-N-(3-hydroxy-2-pyridinyl)-5-methylnaphthalene-2-sulfonamide.
What is the SMILES notation for 8-amino-6-hydroxy-N-(3-hydroxy-2-pyridinyl)-5-methylnaphthalene-2-sulfonamide?
The canonical SMILES for 8-amino-6-hydroxy-N-(3-hydroxy-2-pyridinyl)-5-methylnaphthalene-2-sulfonamide is Cc1c(O)cc(N)c2cc(S(=O)(=O)Nc3ncccc3O)ccc12.
What is the InChIKey of 8-amino-6-hydroxy-N-(3-hydroxy-2-pyridinyl)-5-methylnaphthalene-2-sulfonamide?
The InChIKey is URCFFUNHEGUWAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O4S/c1-9-11-5-4-10(7-12(11)13(17)8-15(9)21)24(22,23)19-16-14(20)3-2-6-18-16/h2-8,20-21H,17H2,1H3,(H,18,19).
What are the key properties of 8-amino-6-hydroxy-N-(3-hydroxy-2-pyridinyl)-5-methylnaphthalene-2-sulfonamide?
8-amino-6-hydroxy-N-(3-hydroxy-2-pyridinyl)-5-methylnaphthalene-2-sulfonamide has a molecular weight of 345.38 g/mol, XLogP of 2.34, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-6-hydroxy-N-(3-hydroxy-2-pyridinyl)-5-methylnaphthalene-2-sulfonamide is sourced from PubChem (CID 21022874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).