4-(4-oxo-3H-quinazolin-2-yl)benzenesulfonamide

C14H11N3O3S — CID 135566660

IUPAC4-(4-oxo-3H-quinazolin-2-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2nc3ccccc3c(=O)[nH]2)cc1
InChIInChI=1S/C14H11N3O3S/c15-21(19,20)10-7-5-9(6-8-10)13-16-12-4-2-1-3-11(12)14(18)17-13/h1-8H,(H2,15,19,20)(H,16,17,18)
InChIKeyOMUIDCNIRWVPSK-UHFFFAOYSA-N
MW301.33 g/mol
LogP1.24
Rot. Bonds2

About 4-(4-oxo-3H-quinazolin-2-yl)benzenesulfonamide

4-(4-oxo-3H-quinazolin-2-yl)benzenesulfonamide (PubChem CID 135566660) has the molecular formula C14H11N3O3S and a molecular weight of 301.33 g/mol. Its IUPAC name is 4-(4-oxo-3H-quinazolin-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(4-oxo-3H-quinazolin-2-yl)benzenesulfonamide
PubChem CID135566660
Molecular FormulaC14H11N3O3S
Molecular Weight301.33 g/mol
Exact Mass301.05
IUPAC Name4-(4-oxo-3H-quinazolin-2-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2nc3ccccc3c(=O)[nH]2)cc1
InChIInChI=1S/C14H11N3O3S/c15-21(19,20)10-7-5-9(6-8-10)13-16-12-4-2-1-3-11(12)14(18)17-13/h1-8H,(H2,15,19,20)(H,16,17,18)
InChIKeyOMUIDCNIRWVPSK-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 4-(4-oxo-3H-quinazolin-2-yl)benzenesulfonamide?
The IUPAC name of 4-(4-oxo-3H-quinazolin-2-yl)benzenesulfonamide (CID 135566660) is 4-(4-oxo-3H-quinazolin-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-(4-oxo-3H-quinazolin-2-yl)benzenesulfonamide?
The canonical SMILES for 4-(4-oxo-3H-quinazolin-2-yl)benzenesulfonamide is NS(=O)(=O)c1ccc(-c2nc3ccccc3c(=O)[nH]2)cc1.
What is the InChIKey of 4-(4-oxo-3H-quinazolin-2-yl)benzenesulfonamide?
The InChIKey is OMUIDCNIRWVPSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O3S/c15-21(19,20)10-7-5-9(6-8-10)13-16-12-4-2-1-3-11(12)14(18)17-13/h1-8H,(H2,15,19,20)(H,16,17,18).
What are the key properties of 4-(4-oxo-3H-quinazolin-2-yl)benzenesulfonamide?
4-(4-oxo-3H-quinazolin-2-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 4-(4-oxo-3H-quinazolin-2-yl)benzenesulfonamide is sourced from PubChem (CID 135566660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).