3-(4-oxo-3H-quinazolin-7-yl)benzenesulfonamide

C14H11N3O3S — CID 135925097

IUPAC3-(4-oxo-3H-quinazolin-7-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(-c2ccc3c(=O)[nH]cnc3c2)c1
InChIInChI=1S/C14H11N3O3S/c15-21(19,20)11-3-1-2-9(6-11)10-4-5-12-13(7-10)16-8-17-14(12)18/h1-8H,(H2,15,19,20)(H,16,17,18)
InChIKeyZAPGKYNGJMQAQI-UHFFFAOYSA-N
MW301.33 g/mol
LogP1.24
Rot. Bonds2

About 3-(4-oxo-3H-quinazolin-7-yl)benzenesulfonamide

3-(4-oxo-3H-quinazolin-7-yl)benzenesulfonamide (PubChem CID 135925097) has the molecular formula C14H11N3O3S and a molecular weight of 301.33 g/mol. Its IUPAC name is 3-(4-oxo-3H-quinazolin-7-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-(4-oxo-3H-quinazolin-7-yl)benzenesulfonamide
PubChem CID135925097
Molecular FormulaC14H11N3O3S
Molecular Weight301.33 g/mol
Exact Mass301.05
IUPAC Name3-(4-oxo-3H-quinazolin-7-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(-c2ccc3c(=O)[nH]cnc3c2)c1
InChIInChI=1S/C14H11N3O3S/c15-21(19,20)11-3-1-2-9(6-11)10-4-5-12-13(7-10)16-8-17-14(12)18/h1-8H,(H2,15,19,20)(H,16,17,18)
InChIKeyZAPGKYNGJMQAQI-UHFFFAOYSA-N
XLogP1.24
TPSA105.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.33
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-oxo-3H-quinazolin-7-yl)benzenesulfonamide?
The IUPAC name of 3-(4-oxo-3H-quinazolin-7-yl)benzenesulfonamide (CID 135925097) is 3-(4-oxo-3H-quinazolin-7-yl)benzenesulfonamide.
What is the SMILES notation for 3-(4-oxo-3H-quinazolin-7-yl)benzenesulfonamide?
The canonical SMILES for 3-(4-oxo-3H-quinazolin-7-yl)benzenesulfonamide is NS(=O)(=O)c1cccc(-c2ccc3c(=O)[nH]cnc3c2)c1.
What is the InChIKey of 3-(4-oxo-3H-quinazolin-7-yl)benzenesulfonamide?
The InChIKey is ZAPGKYNGJMQAQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O3S/c15-21(19,20)11-3-1-2-9(6-11)10-4-5-12-13(7-10)16-8-17-14(12)18/h1-8H,(H2,15,19,20)(H,16,17,18).
What are the key properties of 3-(4-oxo-3H-quinazolin-7-yl)benzenesulfonamide?
3-(4-oxo-3H-quinazolin-7-yl)benzenesulfonamide has a molecular weight of 301.33 g/mol, XLogP of 1.24, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-oxo-3H-quinazolin-7-yl)benzenesulfonamide is sourced from PubChem (CID 135925097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).