6,7-dihydroquinazoline-6-sulfonamide

C8H9N3O2S — CID 145096946

IUPAC6,7-dihydroquinazoline-6-sulfonamide
SMILESNS(=O)(=O)C1C=c2cncnc2=CC1
InChIInChI=1S/C8H9N3O2S/c9-14(12,13)7-1-2-8-6(3-7)4-10-5-11-8/h2-5,7H,1H2,(H2,9,12,13)
InChIKeyAGHFYVIOMUEDGC-UHFFFAOYSA-N
MW211.25 g/mol
LogP-1.90
Rot. Bonds1

About 6,7-dihydroquinazoline-6-sulfonamide

6,7-dihydroquinazoline-6-sulfonamide (PubChem CID 145096946) has the molecular formula C8H9N3O2S and a molecular weight of 211.25 g/mol. Its IUPAC name is 6,7-dihydroquinazoline-6-sulfonamide.

Molecular Properties

Compound Name6,7-dihydroquinazoline-6-sulfonamide
PubChem CID145096946
Molecular FormulaC8H9N3O2S
Molecular Weight211.25 g/mol
Exact Mass211.04
IUPAC Name6,7-dihydroquinazoline-6-sulfonamide
SMILESNS(=O)(=O)C1C=c2cncnc2=CC1
InChIInChI=1S/C8H9N3O2S/c9-14(12,13)7-1-2-8-6(3-7)4-10-5-11-8/h2-5,7H,1H2,(H2,9,12,13)
InChIKeyAGHFYVIOMUEDGC-UHFFFAOYSA-N
XLogP-1.90
TPSA85.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.25
LogP ≤ 5-1.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,7-dihydroquinazoline-6-sulfonamide?
The IUPAC name of 6,7-dihydroquinazoline-6-sulfonamide (CID 145096946) is 6,7-dihydroquinazoline-6-sulfonamide.
What is the SMILES notation for 6,7-dihydroquinazoline-6-sulfonamide?
The canonical SMILES for 6,7-dihydroquinazoline-6-sulfonamide is NS(=O)(=O)C1C=c2cncnc2=CC1.
What is the InChIKey of 6,7-dihydroquinazoline-6-sulfonamide?
The InChIKey is AGHFYVIOMUEDGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O2S/c9-14(12,13)7-1-2-8-6(3-7)4-10-5-11-8/h2-5,7H,1H2,(H2,9,12,13).
What are the key properties of 6,7-dihydroquinazoline-6-sulfonamide?
6,7-dihydroquinazoline-6-sulfonamide has a molecular weight of 211.25 g/mol, XLogP of -1.90, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydroquinazoline-6-sulfonamide is sourced from PubChem (CID 145096946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).