4-chloro-N-methyl-N-(4-oxoquinazolin-3-yl)benzenesulfonamide

C15H12ClN3O3S — CID 2805383

IUPAC4-chloro-N-methyl-N-(4-oxoquinazolin-3-yl)benzenesulfonamide
SMILESCN(n1cnc2ccccc2c1=O)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H12ClN3O3S/c1-18(23(21,22)12-8-6-11(16)7-9-12)19-10-17-14-5-3-2-4-13(14)15(19)20/h2-10H,1H3
InChIKeyZPOUPOQUCDWYOF-UHFFFAOYSA-N
MW349.80 g/mol
LogP2.01
Rot. Bonds3

About 4-chloro-N-methyl-N-(4-oxoquinazolin-3-yl)benzenesulfonamide

4-chloro-N-methyl-N-(4-oxoquinazolin-3-yl)benzenesulfonamide (PubChem CID 2805383) has the molecular formula C15H12ClN3O3S and a molecular weight of 349.80 g/mol. Its IUPAC name is 4-chloro-N-methyl-N-(4-oxoquinazolin-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-methyl-N-(4-oxoquinazolin-3-yl)benzenesulfonamide
PubChem CID2805383
Molecular FormulaC15H12ClN3O3S
Molecular Weight349.80 g/mol
Exact Mass349.03
IUPAC Name4-chloro-N-methyl-N-(4-oxoquinazolin-3-yl)benzenesulfonamide
SMILESCN(n1cnc2ccccc2c1=O)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H12ClN3O3S/c1-18(23(21,22)12-8-6-11(16)7-9-12)19-10-17-14-5-3-2-4-13(14)15(19)20/h2-10H,1H3
InChIKeyZPOUPOQUCDWYOF-UHFFFAOYSA-N
XLogP2.01
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.80
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-methyl-N-(4-oxoquinazolin-3-yl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-methyl-N-(4-oxoquinazolin-3-yl)benzenesulfonamide (CID 2805383) is 4-chloro-N-methyl-N-(4-oxoquinazolin-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-methyl-N-(4-oxoquinazolin-3-yl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-methyl-N-(4-oxoquinazolin-3-yl)benzenesulfonamide is CN(n1cnc2ccccc2c1=O)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-methyl-N-(4-oxoquinazolin-3-yl)benzenesulfonamide?
The InChIKey is ZPOUPOQUCDWYOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O3S/c1-18(23(21,22)12-8-6-11(16)7-9-12)19-10-17-14-5-3-2-4-13(14)15(19)20/h2-10H,1H3.
What are the key properties of 4-chloro-N-methyl-N-(4-oxoquinazolin-3-yl)benzenesulfonamide?
4-chloro-N-methyl-N-(4-oxoquinazolin-3-yl)benzenesulfonamide has a molecular weight of 349.80 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-methyl-N-(4-oxoquinazolin-3-yl)benzenesulfonamide is sourced from PubChem (CID 2805383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).