4-methoxy-N-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)benzenesulfonamide

C16H17N3O4S — CID 71271805

IUPAC4-methoxy-N-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)CN(C)C(=O)N3)cc1
InChIInChI=1S/C16H17N3O4S/c1-19-10-11-9-12(3-8-15(11)17-16(19)20)18-24(21,22)14-6-4-13(23-2)5-7-14/h3-9,18H,10H2,1-2H3,(H,17,20)
InChIKeyKSHBMIHYGBWYMH-UHFFFAOYSA-N
MW347.40 g/mol
LogP2.47
Rot. Bonds4

About 4-methoxy-N-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)benzenesulfonamide

4-methoxy-N-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)benzenesulfonamide (PubChem CID 71271805) has the molecular formula C16H17N3O4S and a molecular weight of 347.40 g/mol. Its IUPAC name is 4-methoxy-N-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)benzenesulfonamide
PubChem CID71271805
Molecular FormulaC16H17N3O4S
Molecular Weight347.40 g/mol
Exact Mass347.09
IUPAC Name4-methoxy-N-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)CN(C)C(=O)N3)cc1
InChIInChI=1S/C16H17N3O4S/c1-19-10-11-9-12(3-8-15(11)17-16(19)20)18-24(21,22)14-6-4-13(23-2)5-7-14/h3-9,18H,10H2,1-2H3,(H,17,20)
InChIKeyKSHBMIHYGBWYMH-UHFFFAOYSA-N
XLogP2.47
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)benzenesulfonamide?
The IUPAC name of 4-methoxy-N-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)benzenesulfonamide (CID 71271805) is 4-methoxy-N-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)benzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc3c(c2)CN(C)C(=O)N3)cc1.
What is the InChIKey of 4-methoxy-N-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)benzenesulfonamide?
The InChIKey is KSHBMIHYGBWYMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O4S/c1-19-10-11-9-12(3-8-15(11)17-16(19)20)18-24(21,22)14-6-4-13(23-2)5-7-14/h3-9,18H,10H2,1-2H3,(H,17,20).
What are the key properties of 4-methoxy-N-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)benzenesulfonamide?
4-methoxy-N-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)benzenesulfonamide has a molecular weight of 347.40 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)benzenesulfonamide is sourced from PubChem (CID 71271805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).