4-(1,6-naphthyridin-8-ylsulfinylamino)benzoic acid

C15H11N3O3S — CID 141415010

IUPAC4-(1,6-naphthyridin-8-ylsulfinylamino)benzoic acid
SMILESO=C(O)c1ccc(NS(=O)c2cncc3cccnc23)cc1
InChIInChI=1S/C15H11N3O3S/c19-15(20)10-3-5-12(6-4-10)18-22(21)13-9-16-8-11-2-1-7-17-14(11)13/h1-9,18H,(H,19,20)
InChIKeyHJLPODTVXOQEST-UHFFFAOYSA-N
MW313.34 g/mol
LogP2.46
Rot. Bonds4

About 4-(1,6-naphthyridin-8-ylsulfinylamino)benzoic acid

4-(1,6-naphthyridin-8-ylsulfinylamino)benzoic acid (PubChem CID 141415010) has the molecular formula C15H11N3O3S and a molecular weight of 313.34 g/mol. Its IUPAC name is 4-(1,6-naphthyridin-8-ylsulfinylamino)benzoic acid.

Molecular Properties

Compound Name4-(1,6-naphthyridin-8-ylsulfinylamino)benzoic acid
PubChem CID141415010
Molecular FormulaC15H11N3O3S
Molecular Weight313.34 g/mol
Exact Mass313.05
IUPAC Name4-(1,6-naphthyridin-8-ylsulfinylamino)benzoic acid
SMILESO=C(O)c1ccc(NS(=O)c2cncc3cccnc23)cc1
InChIInChI=1S/C15H11N3O3S/c19-15(20)10-3-5-12(6-4-10)18-22(21)13-9-16-8-11-2-1-7-17-14(11)13/h1-9,18H,(H,19,20)
InChIKeyHJLPODTVXOQEST-UHFFFAOYSA-N
XLogP2.46
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.34
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1,6-naphthyridin-8-ylsulfinylamino)benzoic acid?
The IUPAC name of 4-(1,6-naphthyridin-8-ylsulfinylamino)benzoic acid (CID 141415010) is 4-(1,6-naphthyridin-8-ylsulfinylamino)benzoic acid.
What is the SMILES notation for 4-(1,6-naphthyridin-8-ylsulfinylamino)benzoic acid?
The canonical SMILES for 4-(1,6-naphthyridin-8-ylsulfinylamino)benzoic acid is O=C(O)c1ccc(NS(=O)c2cncc3cccnc23)cc1.
What is the InChIKey of 4-(1,6-naphthyridin-8-ylsulfinylamino)benzoic acid?
The InChIKey is HJLPODTVXOQEST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O3S/c19-15(20)10-3-5-12(6-4-10)18-22(21)13-9-16-8-11-2-1-7-17-14(11)13/h1-9,18H,(H,19,20).
What are the key properties of 4-(1,6-naphthyridin-8-ylsulfinylamino)benzoic acid?
4-(1,6-naphthyridin-8-ylsulfinylamino)benzoic acid has a molecular weight of 313.34 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,6-naphthyridin-8-ylsulfinylamino)benzoic acid is sourced from PubChem (CID 141415010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).