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

C11H12N4O6S2 — CID 2247648

IUPAC6-methyl-2,4-dioxo-N-(4-sulfamoylphenyl)-1H-pyrimidine-5-sulfonamide
SMILESCc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C11H12N4O6S2/c1-6-9(10(16)14-11(17)13-6)23(20,21)15-7-2-4-8(5-3-7)22(12,18)19/h2-5,15H,1H3,(H2,12,18,19)(H2,13,14,16,17)
InChIKeyJPGKCYRTZZYQFY-UHFFFAOYSA-N
MW360.37 g/mol
LogP-1.18
Rot. Bonds4

About 6-methyl-2,4-dioxo-N-(4-sulfamoylphenyl)-1H-pyrimidine-5-sulfonamide

6-methyl-2,4-dioxo-N-(4-sulfamoylphenyl)-1H-pyrimidine-5-sulfonamide (PubChem CID 2247648) has the molecular formula C11H12N4O6S2 and a molecular weight of 360.37 g/mol. Its IUPAC name is 6-methyl-2,4-dioxo-N-(4-sulfamoylphenyl)-1H-pyrimidine-5-sulfonamide.

Molecular Properties

Compound Name6-methyl-2,4-dioxo-N-(4-sulfamoylphenyl)-1H-pyrimidine-5-sulfonamide
PubChem CID2247648
Molecular FormulaC11H12N4O6S2
Molecular Weight360.37 g/mol
Exact Mass360.02
IUPAC Name6-methyl-2,4-dioxo-N-(4-sulfamoylphenyl)-1H-pyrimidine-5-sulfonamide
SMILESCc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C11H12N4O6S2/c1-6-9(10(16)14-11(17)13-6)23(20,21)15-7-2-4-8(5-3-7)22(12,18)19/h2-5,15H,1H3,(H2,12,18,19)(H2,13,14,16,17)
InChIKeyJPGKCYRTZZYQFY-UHFFFAOYSA-N
XLogP-1.18
TPSA172.05 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 5-1.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2,4-dioxo-N-(4-sulfamoylphenyl)-1H-pyrimidine-5-sulfonamide?
The IUPAC name of 6-methyl-2,4-dioxo-N-(4-sulfamoylphenyl)-1H-pyrimidine-5-sulfonamide (CID 2247648) is 6-methyl-2,4-dioxo-N-(4-sulfamoylphenyl)-1H-pyrimidine-5-sulfonamide.
What is the SMILES notation for 6-methyl-2,4-dioxo-N-(4-sulfamoylphenyl)-1H-pyrimidine-5-sulfonamide?
The canonical SMILES for 6-methyl-2,4-dioxo-N-(4-sulfamoylphenyl)-1H-pyrimidine-5-sulfonamide is Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)Nc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 6-methyl-2,4-dioxo-N-(4-sulfamoylphenyl)-1H-pyrimidine-5-sulfonamide?
The InChIKey is JPGKCYRTZZYQFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O6S2/c1-6-9(10(16)14-11(17)13-6)23(20,21)15-7-2-4-8(5-3-7)22(12,18)19/h2-5,15H,1H3,(H2,12,18,19)(H2,13,14,16,17).
What are the key properties of 6-methyl-2,4-dioxo-N-(4-sulfamoylphenyl)-1H-pyrimidine-5-sulfonamide?
6-methyl-2,4-dioxo-N-(4-sulfamoylphenyl)-1H-pyrimidine-5-sulfonamide has a molecular weight of 360.37 g/mol, XLogP of -1.18, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2,4-dioxo-N-(4-sulfamoylphenyl)-1H-pyrimidine-5-sulfonamide is sourced from PubChem (CID 2247648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).