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

C11H11N3O4S — CID 54377170

IUPACN-(7-ethenyl-2,4-dioxo-1H-quinazolin-3-yl)methanesulfonamide
SMILESC=Cc1ccc2c(=O)n(NS(C)(=O)=O)c(=O)[nH]c2c1
InChIInChI=1S/C11H11N3O4S/c1-3-7-4-5-8-9(6-7)12-11(16)14(10(8)15)13-19(2,17)18/h3-6,13H,1H2,2H3,(H,12,16)
InChIKeyUXIMGWZJABJAQV-UHFFFAOYSA-N
MW281.29 g/mol
LogP-0.16
Rot. Bonds3

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

N-(7-ethenyl-2,4-dioxo-1H-quinazolin-3-yl)methanesulfonamide (PubChem CID 54377170) has the molecular formula C11H11N3O4S and a molecular weight of 281.29 g/mol. Its IUPAC name is N-(7-ethenyl-2,4-dioxo-1H-quinazolin-3-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(7-ethenyl-2,4-dioxo-1H-quinazolin-3-yl)methanesulfonamide
PubChem CID54377170
Molecular FormulaC11H11N3O4S
Molecular Weight281.29 g/mol
Exact Mass281.05
IUPAC NameN-(7-ethenyl-2,4-dioxo-1H-quinazolin-3-yl)methanesulfonamide
SMILESC=Cc1ccc2c(=O)n(NS(C)(=O)=O)c(=O)[nH]c2c1
InChIInChI=1S/C11H11N3O4S/c1-3-7-4-5-8-9(6-7)12-11(16)14(10(8)15)13-19(2,17)18/h3-6,13H,1H2,2H3,(H,12,16)
InChIKeyUXIMGWZJABJAQV-UHFFFAOYSA-N
XLogP-0.16
TPSA101.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.29
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(7-ethenyl-2,4-dioxo-1H-quinazolin-3-yl)methanesulfonamide?
The IUPAC name of N-(7-ethenyl-2,4-dioxo-1H-quinazolin-3-yl)methanesulfonamide (CID 54377170) is N-(7-ethenyl-2,4-dioxo-1H-quinazolin-3-yl)methanesulfonamide.
What is the SMILES notation for N-(7-ethenyl-2,4-dioxo-1H-quinazolin-3-yl)methanesulfonamide?
The canonical SMILES for N-(7-ethenyl-2,4-dioxo-1H-quinazolin-3-yl)methanesulfonamide is C=Cc1ccc2c(=O)n(NS(C)(=O)=O)c(=O)[nH]c2c1.
What is the InChIKey of N-(7-ethenyl-2,4-dioxo-1H-quinazolin-3-yl)methanesulfonamide?
The InChIKey is UXIMGWZJABJAQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O4S/c1-3-7-4-5-8-9(6-7)12-11(16)14(10(8)15)13-19(2,17)18/h3-6,13H,1H2,2H3,(H,12,16).
What are the key properties of N-(7-ethenyl-2,4-dioxo-1H-quinazolin-3-yl)methanesulfonamide?
N-(7-ethenyl-2,4-dioxo-1H-quinazolin-3-yl)methanesulfonamide has a molecular weight of 281.29 g/mol, XLogP of -0.16, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-ethenyl-2,4-dioxo-1H-quinazolin-3-yl)methanesulfonamide is sourced from PubChem (CID 54377170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).