N-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)benzenesulfonamide

C11H11N3O4S — CID 851471

IUPACN-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)benzenesulfonamide
SMILESCc1[nH]c(=O)[nH]c(=O)c1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C11H11N3O4S/c1-7-9(10(15)13-11(16)12-7)14-19(17,18)8-5-3-2-4-6-8/h2-6,14H,1H3,(H2,12,13,15,16)
InChIKeyLXEANPCGBLLUHG-UHFFFAOYSA-N
MW281.29 g/mol
LogP0.17
Rot. Bonds3

About N-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)benzenesulfonamide

N-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)benzenesulfonamide (PubChem CID 851471) has the molecular formula C11H11N3O4S and a molecular weight of 281.29 g/mol. Its IUPAC name is N-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)benzenesulfonamide
PubChem CID851471
Molecular FormulaC11H11N3O4S
Molecular Weight281.29 g/mol
Exact Mass281.05
IUPAC NameN-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)benzenesulfonamide
SMILESCc1[nH]c(=O)[nH]c(=O)c1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C11H11N3O4S/c1-7-9(10(15)13-11(16)12-7)14-19(17,18)8-5-3-2-4-6-8/h2-6,14H,1H3,(H2,12,13,15,16)
InChIKeyLXEANPCGBLLUHG-UHFFFAOYSA-N
XLogP0.17
TPSA111.89 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.29
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)benzenesulfonamide?
The IUPAC name of N-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)benzenesulfonamide (CID 851471) is N-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)benzenesulfonamide.
What is the SMILES notation for N-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)benzenesulfonamide?
The canonical SMILES for N-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)benzenesulfonamide is Cc1[nH]c(=O)[nH]c(=O)c1NS(=O)(=O)c1ccccc1.
What is the InChIKey of N-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)benzenesulfonamide?
The InChIKey is LXEANPCGBLLUHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O4S/c1-7-9(10(15)13-11(16)12-7)14-19(17,18)8-5-3-2-4-6-8/h2-6,14H,1H3,(H2,12,13,15,16).
What are the key properties of N-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)benzenesulfonamide?
N-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)benzenesulfonamide has a molecular weight of 281.29 g/mol, XLogP of 0.17, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)benzenesulfonamide is sourced from PubChem (CID 851471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).