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

C10H10N4O6S2 — CID 43980578

IUPAC2,4-dioxo-N-(4-sulfamoylphenyl)-1H-pyrimidine-5-sulfonamide
SMILESNS(=O)(=O)c1ccc(NS(=O)(=O)c2c[nH]c(=O)[nH]c2=O)cc1
InChIInChI=1S/C10H10N4O6S2/c11-21(17,18)7-3-1-6(2-4-7)14-22(19,20)8-5-12-10(16)13-9(8)15/h1-5,14H,(H2,11,17,18)(H2,12,13,15,16)
InChIKeyHDZRDUGRSYLGEZ-UHFFFAOYSA-N
MW346.35 g/mol
LogP-1.49
Rot. Bonds4

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

2,4-dioxo-N-(4-sulfamoylphenyl)-1H-pyrimidine-5-sulfonamide (PubChem CID 43980578) has the molecular formula C10H10N4O6S2 and a molecular weight of 346.35 g/mol. Its IUPAC name is 2,4-dioxo-N-(4-sulfamoylphenyl)-1H-pyrimidine-5-sulfonamide.

Molecular Properties

Compound Name2,4-dioxo-N-(4-sulfamoylphenyl)-1H-pyrimidine-5-sulfonamide
PubChem CID43980578
Molecular FormulaC10H10N4O6S2
Molecular Weight346.35 g/mol
Exact Mass346.00
IUPAC Name2,4-dioxo-N-(4-sulfamoylphenyl)-1H-pyrimidine-5-sulfonamide
SMILESNS(=O)(=O)c1ccc(NS(=O)(=O)c2c[nH]c(=O)[nH]c2=O)cc1
InChIInChI=1S/C10H10N4O6S2/c11-21(17,18)7-3-1-6(2-4-7)14-22(19,20)8-5-12-10(16)13-9(8)15/h1-5,14H,(H2,11,17,18)(H2,12,13,15,16)
InChIKeyHDZRDUGRSYLGEZ-UHFFFAOYSA-N
XLogP-1.49
TPSA172.05 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 5-1.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,4-dioxo-N-(4-sulfamoylphenyl)-1H-pyrimidine-5-sulfonamide?
The IUPAC name of 2,4-dioxo-N-(4-sulfamoylphenyl)-1H-pyrimidine-5-sulfonamide (CID 43980578) is 2,4-dioxo-N-(4-sulfamoylphenyl)-1H-pyrimidine-5-sulfonamide.
What is the SMILES notation for 2,4-dioxo-N-(4-sulfamoylphenyl)-1H-pyrimidine-5-sulfonamide?
The canonical SMILES for 2,4-dioxo-N-(4-sulfamoylphenyl)-1H-pyrimidine-5-sulfonamide is NS(=O)(=O)c1ccc(NS(=O)(=O)c2c[nH]c(=O)[nH]c2=O)cc1.
What is the InChIKey of 2,4-dioxo-N-(4-sulfamoylphenyl)-1H-pyrimidine-5-sulfonamide?
The InChIKey is HDZRDUGRSYLGEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O6S2/c11-21(17,18)7-3-1-6(2-4-7)14-22(19,20)8-5-12-10(16)13-9(8)15/h1-5,14H,(H2,11,17,18)(H2,12,13,15,16).
What are the key properties of 2,4-dioxo-N-(4-sulfamoylphenyl)-1H-pyrimidine-5-sulfonamide?
2,4-dioxo-N-(4-sulfamoylphenyl)-1H-pyrimidine-5-sulfonamide has a molecular weight of 346.35 g/mol, XLogP of -1.49, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dioxo-N-(4-sulfamoylphenyl)-1H-pyrimidine-5-sulfonamide is sourced from PubChem (CID 43980578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).