N-(2-methylsulfanylphenyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide

C11H11N3O4S2 — CID 7635738

IUPACN-(2-methylsulfanylphenyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide
SMILESCSc1ccccc1NS(=O)(=O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C11H11N3O4S2/c1-19-8-5-3-2-4-7(8)14-20(17,18)9-6-12-11(16)13-10(9)15/h2-6,14H,1H3,(H2,12,13,15,16)
InChIKeyDIGMKYOSDXATIU-UHFFFAOYSA-N
MW313.36 g/mol
LogP0.59
Rot. Bonds4

About N-(2-methylsulfanylphenyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide

N-(2-methylsulfanylphenyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide (PubChem CID 7635738) has the molecular formula C11H11N3O4S2 and a molecular weight of 313.36 g/mol. Its IUPAC name is N-(2-methylsulfanylphenyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN-(2-methylsulfanylphenyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide
PubChem CID7635738
Molecular FormulaC11H11N3O4S2
Molecular Weight313.36 g/mol
Exact Mass313.02
IUPAC NameN-(2-methylsulfanylphenyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide
SMILESCSc1ccccc1NS(=O)(=O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C11H11N3O4S2/c1-19-8-5-3-2-4-7(8)14-20(17,18)9-6-12-11(16)13-10(9)15/h2-6,14H,1H3,(H2,12,13,15,16)
InChIKeyDIGMKYOSDXATIU-UHFFFAOYSA-N
XLogP0.59
TPSA111.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfanylphenyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
The IUPAC name of N-(2-methylsulfanylphenyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide (CID 7635738) is N-(2-methylsulfanylphenyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide.
What is the SMILES notation for N-(2-methylsulfanylphenyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
The canonical SMILES for N-(2-methylsulfanylphenyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide is CSc1ccccc1NS(=O)(=O)c1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of N-(2-methylsulfanylphenyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
The InChIKey is DIGMKYOSDXATIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O4S2/c1-19-8-5-3-2-4-7(8)14-20(17,18)9-6-12-11(16)13-10(9)15/h2-6,14H,1H3,(H2,12,13,15,16).
What are the key properties of N-(2-methylsulfanylphenyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
N-(2-methylsulfanylphenyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide has a molecular weight of 313.36 g/mol, XLogP of 0.59, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfanylphenyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide is sourced from PubChem (CID 7635738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).