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

C10H11N3O4S — CID 54587567

IUPACN-(7-methyl-2,4-dioxo-1H-quinazolin-3-yl)methanesulfonamide
SMILESCc1ccc2c(=O)n(NS(C)(=O)=O)c(=O)[nH]c2c1
InChIInChI=1S/C10H11N3O4S/c1-6-3-4-7-8(5-6)11-10(15)13(9(7)14)12-18(2,16)17/h3-5,12H,1-2H3,(H,11,15)
InChIKeyLADZULDZOWJSIJ-UHFFFAOYSA-N
MW269.28 g/mol
LogP-0.50
Rot. Bonds2

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

N-(7-methyl-2,4-dioxo-1H-quinazolin-3-yl)methanesulfonamide (PubChem CID 54587567) has the molecular formula C10H11N3O4S and a molecular weight of 269.28 g/mol. Its IUPAC name is N-(7-methyl-2,4-dioxo-1H-quinazolin-3-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(7-methyl-2,4-dioxo-1H-quinazolin-3-yl)methanesulfonamide
PubChem CID54587567
Molecular FormulaC10H11N3O4S
Molecular Weight269.28 g/mol
Exact Mass269.05
IUPAC NameN-(7-methyl-2,4-dioxo-1H-quinazolin-3-yl)methanesulfonamide
SMILESCc1ccc2c(=O)n(NS(C)(=O)=O)c(=O)[nH]c2c1
InChIInChI=1S/C10H11N3O4S/c1-6-3-4-7-8(5-6)11-10(15)13(9(7)14)12-18(2,16)17/h3-5,12H,1-2H3,(H,11,15)
InChIKeyLADZULDZOWJSIJ-UHFFFAOYSA-N
XLogP-0.50
TPSA101.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(7-methyl-2,4-dioxo-1H-quinazolin-3-yl)methanesulfonamide?
The IUPAC name of N-(7-methyl-2,4-dioxo-1H-quinazolin-3-yl)methanesulfonamide (CID 54587567) is N-(7-methyl-2,4-dioxo-1H-quinazolin-3-yl)methanesulfonamide.
What is the SMILES notation for N-(7-methyl-2,4-dioxo-1H-quinazolin-3-yl)methanesulfonamide?
The canonical SMILES for N-(7-methyl-2,4-dioxo-1H-quinazolin-3-yl)methanesulfonamide is Cc1ccc2c(=O)n(NS(C)(=O)=O)c(=O)[nH]c2c1.
What is the InChIKey of N-(7-methyl-2,4-dioxo-1H-quinazolin-3-yl)methanesulfonamide?
The InChIKey is LADZULDZOWJSIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O4S/c1-6-3-4-7-8(5-6)11-10(15)13(9(7)14)12-18(2,16)17/h3-5,12H,1-2H3,(H,11,15).
What are the key properties of N-(7-methyl-2,4-dioxo-1H-quinazolin-3-yl)methanesulfonamide?
N-(7-methyl-2,4-dioxo-1H-quinazolin-3-yl)methanesulfonamide has a molecular weight of 269.28 g/mol, XLogP of -0.50, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-methyl-2,4-dioxo-1H-quinazolin-3-yl)methanesulfonamide is sourced from PubChem (CID 54587567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).