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

C16H17N3O3S — CID 71271375

IUPAC4-methyl-N-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc3c(c2)CN(C)C(=O)N3)cc1
InChIInChI=1S/C16H17N3O3S/c1-11-3-6-14(7-4-11)23(21,22)18-13-5-8-15-12(9-13)10-19(2)16(20)17-15/h3-9,18H,10H2,1-2H3,(H,17,20)
InChIKeyALZVXWOIZXGRBS-UHFFFAOYSA-N
MW331.40 g/mol
LogP2.77
Rot. Bonds3

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

4-methyl-N-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)benzenesulfonamide (PubChem CID 71271375) has the molecular formula C16H17N3O3S and a molecular weight of 331.40 g/mol. Its IUPAC name is 4-methyl-N-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)benzenesulfonamide
PubChem CID71271375
Molecular FormulaC16H17N3O3S
Molecular Weight331.40 g/mol
Exact Mass331.10
IUPAC Name4-methyl-N-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc3c(c2)CN(C)C(=O)N3)cc1
InChIInChI=1S/C16H17N3O3S/c1-11-3-6-14(7-4-11)23(21,22)18-13-5-8-15-12(9-13)10-19(2)16(20)17-15/h3-9,18H,10H2,1-2H3,(H,17,20)
InChIKeyALZVXWOIZXGRBS-UHFFFAOYSA-N
XLogP2.77
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)benzenesulfonamide (CID 71271375) is 4-methyl-N-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)CN(C)C(=O)N3)cc1.
What is the InChIKey of 4-methyl-N-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)benzenesulfonamide?
The InChIKey is ALZVXWOIZXGRBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3S/c1-11-3-6-14(7-4-11)23(21,22)18-13-5-8-15-12(9-13)10-19(2)16(20)17-15/h3-9,18H,10H2,1-2H3,(H,17,20).
What are the key properties of 4-methyl-N-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)benzenesulfonamide?
4-methyl-N-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)benzenesulfonamide has a molecular weight of 331.40 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)benzenesulfonamide is sourced from PubChem (CID 71271375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).