4-(2-aminoquinolin-8-yl)-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide

C16H14N8O4S2 — CID 135311171

IUPAC4-(2-aminoquinolin-8-yl)-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide
SMILESNc1ccc2cccc(-c3ccc(S(N)(=O)=O)c(S(N)(=O)=O)c3-c3nn[nH]n3)c2n1
InChIInChI=1S/C16H14N8O4S2/c17-12-7-4-8-2-1-3-10(14(8)20-12)9-5-6-11(29(18,25)26)15(30(19,27)28)13(9)16-21-23-24-22-16/h1-7H,(H2,17,20)(H2,18,25,26)(H2,19,27,28)(H,21,22,23,24)
InChIKeyVDGZDOXAAFBKEX-UHFFFAOYSA-N
MW446.47 g/mol
LogP-0.04
Rot. Bonds4

About 4-(2-aminoquinolin-8-yl)-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide

4-(2-aminoquinolin-8-yl)-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide (PubChem CID 135311171) has the molecular formula C16H14N8O4S2 and a molecular weight of 446.47 g/mol. Its IUPAC name is 4-(2-aminoquinolin-8-yl)-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide.

Molecular Properties

Compound Name4-(2-aminoquinolin-8-yl)-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide
PubChem CID135311171
Molecular FormulaC16H14N8O4S2
Molecular Weight446.47 g/mol
Exact Mass446.06
IUPAC Name4-(2-aminoquinolin-8-yl)-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide
SMILESNc1ccc2cccc(-c3ccc(S(N)(=O)=O)c(S(N)(=O)=O)c3-c3nn[nH]n3)c2n1
InChIInChI=1S/C16H14N8O4S2/c17-12-7-4-8-2-1-3-10(14(8)20-12)9-5-6-11(29(18,25)26)15(30(19,27)28)13(9)16-21-23-24-22-16/h1-7H,(H2,17,20)(H2,18,25,26)(H2,19,27,28)(H,21,22,23,24)
InChIKeyVDGZDOXAAFBKEX-UHFFFAOYSA-N
XLogP-0.04
TPSA213.69 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.47
LogP ≤ 5-0.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoquinolin-8-yl)-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide?
The IUPAC name of 4-(2-aminoquinolin-8-yl)-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide (CID 135311171) is 4-(2-aminoquinolin-8-yl)-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide.
What is the SMILES notation for 4-(2-aminoquinolin-8-yl)-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide?
The canonical SMILES for 4-(2-aminoquinolin-8-yl)-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide is Nc1ccc2cccc(-c3ccc(S(N)(=O)=O)c(S(N)(=O)=O)c3-c3nn[nH]n3)c2n1.
What is the InChIKey of 4-(2-aminoquinolin-8-yl)-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide?
The InChIKey is VDGZDOXAAFBKEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N8O4S2/c17-12-7-4-8-2-1-3-10(14(8)20-12)9-5-6-11(29(18,25)26)15(30(19,27)28)13(9)16-21-23-24-22-16/h1-7H,(H2,17,20)(H2,18,25,26)(H2,19,27,28)(H,21,22,23,24).
What are the key properties of 4-(2-aminoquinolin-8-yl)-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide?
4-(2-aminoquinolin-8-yl)-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide has a molecular weight of 446.47 g/mol, XLogP of -0.04, 4 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoquinolin-8-yl)-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide is sourced from PubChem (CID 135311171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).