3-(2-aminoquinazolin-7-yl)-2-(tetrazolidin-5-yl)benzenesulfonamide

C15H16N8O2S — CID 134823615

IUPAC3-(2-aminoquinazolin-7-yl)-2-(tetrazolidin-5-yl)benzenesulfonamide
SMILESNc1ncc2ccc(-c3cccc(S(N)(=O)=O)c3C3NNNN3)cc2n1
InChIInChI=1S/C15H16N8O2S/c16-15-18-7-9-5-4-8(6-11(9)19-15)10-2-1-3-12(26(17,24)25)13(10)14-20-22-23-21-14/h1-7,14,20-23H,(H2,16,18,19)(H2,17,24,25)
InChIKeyWHQFBNMSJXXMQI-UHFFFAOYSA-N
MW372.41 g/mol
LogP-0.36
Rot. Bonds3

About 3-(2-aminoquinazolin-7-yl)-2-(tetrazolidin-5-yl)benzenesulfonamide

3-(2-aminoquinazolin-7-yl)-2-(tetrazolidin-5-yl)benzenesulfonamide (PubChem CID 134823615) has the molecular formula C15H16N8O2S and a molecular weight of 372.41 g/mol. Its IUPAC name is 3-(2-aminoquinazolin-7-yl)-2-(tetrazolidin-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-(2-aminoquinazolin-7-yl)-2-(tetrazolidin-5-yl)benzenesulfonamide
PubChem CID134823615
Molecular FormulaC15H16N8O2S
Molecular Weight372.41 g/mol
Exact Mass372.11
IUPAC Name3-(2-aminoquinazolin-7-yl)-2-(tetrazolidin-5-yl)benzenesulfonamide
SMILESNc1ncc2ccc(-c3cccc(S(N)(=O)=O)c3C3NNNN3)cc2n1
InChIInChI=1S/C15H16N8O2S/c16-15-18-7-9-5-4-8(6-11(9)19-15)10-2-1-3-12(26(17,24)25)13(10)14-20-22-23-21-14/h1-7,14,20-23H,(H2,16,18,19)(H2,17,24,25)
InChIKeyWHQFBNMSJXXMQI-UHFFFAOYSA-N
XLogP-0.36
TPSA160.08 Ų
H-Bond Donors6
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.41
LogP ≤ 5-0.36
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoquinazolin-7-yl)-2-(tetrazolidin-5-yl)benzenesulfonamide?
The IUPAC name of 3-(2-aminoquinazolin-7-yl)-2-(tetrazolidin-5-yl)benzenesulfonamide (CID 134823615) is 3-(2-aminoquinazolin-7-yl)-2-(tetrazolidin-5-yl)benzenesulfonamide.
What is the SMILES notation for 3-(2-aminoquinazolin-7-yl)-2-(tetrazolidin-5-yl)benzenesulfonamide?
The canonical SMILES for 3-(2-aminoquinazolin-7-yl)-2-(tetrazolidin-5-yl)benzenesulfonamide is Nc1ncc2ccc(-c3cccc(S(N)(=O)=O)c3C3NNNN3)cc2n1.
What is the InChIKey of 3-(2-aminoquinazolin-7-yl)-2-(tetrazolidin-5-yl)benzenesulfonamide?
The InChIKey is WHQFBNMSJXXMQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N8O2S/c16-15-18-7-9-5-4-8(6-11(9)19-15)10-2-1-3-12(26(17,24)25)13(10)14-20-22-23-21-14/h1-7,14,20-23H,(H2,16,18,19)(H2,17,24,25).
What are the key properties of 3-(2-aminoquinazolin-7-yl)-2-(tetrazolidin-5-yl)benzenesulfonamide?
3-(2-aminoquinazolin-7-yl)-2-(tetrazolidin-5-yl)benzenesulfonamide has a molecular weight of 372.41 g/mol, XLogP of -0.36, 3 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoquinazolin-7-yl)-2-(tetrazolidin-5-yl)benzenesulfonamide is sourced from PubChem (CID 134823615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).