quinazoline-8-sulfonamide

C8H7N3O2S — CID 141414949

IUPACquinazoline-8-sulfonamide
SMILESNS(=O)(=O)c1cccc2cncnc12
InChIInChI=1S/C8H7N3O2S/c9-14(12,13)7-3-1-2-6-4-10-5-11-8(6)7/h1-5H,(H2,9,12,13)
InChIKeyWDPKGGDLSJZCOO-UHFFFAOYSA-N
MW209.23 g/mol
LogP0.28
Rot. Bonds1

About quinazoline-8-sulfonamide

quinazoline-8-sulfonamide (PubChem CID 141414949) has the molecular formula C8H7N3O2S and a molecular weight of 209.23 g/mol. Its IUPAC name is quinazoline-8-sulfonamide.

Molecular Properties

Compound Namequinazoline-8-sulfonamide
PubChem CID141414949
Molecular FormulaC8H7N3O2S
Molecular Weight209.23 g/mol
Exact Mass209.03
IUPAC Namequinazoline-8-sulfonamide
SMILESNS(=O)(=O)c1cccc2cncnc12
InChIInChI=1S/C8H7N3O2S/c9-14(12,13)7-3-1-2-6-4-10-5-11-8(6)7/h1-5H,(H2,9,12,13)
InChIKeyWDPKGGDLSJZCOO-UHFFFAOYSA-N
XLogP0.28
TPSA85.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.23
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of quinazoline-8-sulfonamide?
The IUPAC name of quinazoline-8-sulfonamide (CID 141414949) is quinazoline-8-sulfonamide.
What is the SMILES notation for quinazoline-8-sulfonamide?
The canonical SMILES for quinazoline-8-sulfonamide is NS(=O)(=O)c1cccc2cncnc12.
What is the InChIKey of quinazoline-8-sulfonamide?
The InChIKey is WDPKGGDLSJZCOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O2S/c9-14(12,13)7-3-1-2-6-4-10-5-11-8(6)7/h1-5H,(H2,9,12,13).
What are the key properties of quinazoline-8-sulfonamide?
quinazoline-8-sulfonamide has a molecular weight of 209.23 g/mol, XLogP of 0.28, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for quinazoline-8-sulfonamide is sourced from PubChem (CID 141414949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).