N-(2,4-dioxo-7-phenyl-1H-quinazolin-3-yl)methanesulfonamide

C15H13N3O4S — CID 54112961

IUPACN-(2,4-dioxo-7-phenyl-1H-quinazolin-3-yl)methanesulfonamide
SMILESCS(=O)(=O)Nn1c(=O)[nH]c2cc(-c3ccccc3)ccc2c1=O
InChIInChI=1S/C15H13N3O4S/c1-23(21,22)17-18-14(19)12-8-7-11(9-13(12)16-15(18)20)10-5-3-2-4-6-10/h2-9,17H,1H3,(H,16,20)
InChIKeyNIJALTCFMOSSNJ-UHFFFAOYSA-N
MW331.35 g/mol
LogP0.86
Rot. Bonds3

About N-(2,4-dioxo-7-phenyl-1H-quinazolin-3-yl)methanesulfonamide

N-(2,4-dioxo-7-phenyl-1H-quinazolin-3-yl)methanesulfonamide (PubChem CID 54112961) has the molecular formula C15H13N3O4S and a molecular weight of 331.35 g/mol. Its IUPAC name is N-(2,4-dioxo-7-phenyl-1H-quinazolin-3-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(2,4-dioxo-7-phenyl-1H-quinazolin-3-yl)methanesulfonamide
PubChem CID54112961
Molecular FormulaC15H13N3O4S
Molecular Weight331.35 g/mol
Exact Mass331.06
IUPAC NameN-(2,4-dioxo-7-phenyl-1H-quinazolin-3-yl)methanesulfonamide
SMILESCS(=O)(=O)Nn1c(=O)[nH]c2cc(-c3ccccc3)ccc2c1=O
InChIInChI=1S/C15H13N3O4S/c1-23(21,22)17-18-14(19)12-8-7-11(9-13(12)16-15(18)20)10-5-3-2-4-6-10/h2-9,17H,1H3,(H,16,20)
InChIKeyNIJALTCFMOSSNJ-UHFFFAOYSA-N
XLogP0.86
TPSA101.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.35
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dioxo-7-phenyl-1H-quinazolin-3-yl)methanesulfonamide?
The IUPAC name of N-(2,4-dioxo-7-phenyl-1H-quinazolin-3-yl)methanesulfonamide (CID 54112961) is N-(2,4-dioxo-7-phenyl-1H-quinazolin-3-yl)methanesulfonamide.
What is the SMILES notation for N-(2,4-dioxo-7-phenyl-1H-quinazolin-3-yl)methanesulfonamide?
The canonical SMILES for N-(2,4-dioxo-7-phenyl-1H-quinazolin-3-yl)methanesulfonamide is CS(=O)(=O)Nn1c(=O)[nH]c2cc(-c3ccccc3)ccc2c1=O.
What is the InChIKey of N-(2,4-dioxo-7-phenyl-1H-quinazolin-3-yl)methanesulfonamide?
The InChIKey is NIJALTCFMOSSNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O4S/c1-23(21,22)17-18-14(19)12-8-7-11(9-13(12)16-15(18)20)10-5-3-2-4-6-10/h2-9,17H,1H3,(H,16,20).
What are the key properties of N-(2,4-dioxo-7-phenyl-1H-quinazolin-3-yl)methanesulfonamide?
N-(2,4-dioxo-7-phenyl-1H-quinazolin-3-yl)methanesulfonamide has a molecular weight of 331.35 g/mol, XLogP of 0.86, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dioxo-7-phenyl-1H-quinazolin-3-yl)methanesulfonamide is sourced from PubChem (CID 54112961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).