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

C13H16N4O6S2 — CID 3236899

IUPAC6-methyl-2,4-dioxo-N-[2-(4-sulfamoylphenyl)ethyl]-1H-pyrimidine-5-sulfonamide
SMILESCc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)NCCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C13H16N4O6S2/c1-8-11(12(18)17-13(19)16-8)25(22,23)15-7-6-9-2-4-10(5-3-9)24(14,20)21/h2-5,15H,6-7H2,1H3,(H2,14,20,21)(H2,16,17,18,19)
InChIKeyGUGVHAKQICMXOH-UHFFFAOYSA-N
MW388.43 g/mol
LogP-1.46
Rot. Bonds6

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

6-methyl-2,4-dioxo-N-[2-(4-sulfamoylphenyl)ethyl]-1H-pyrimidine-5-sulfonamide (PubChem CID 3236899) has the molecular formula C13H16N4O6S2 and a molecular weight of 388.43 g/mol. Its IUPAC name is 6-methyl-2,4-dioxo-N-[2-(4-sulfamoylphenyl)ethyl]-1H-pyrimidine-5-sulfonamide.

Molecular Properties

Compound Name6-methyl-2,4-dioxo-N-[2-(4-sulfamoylphenyl)ethyl]-1H-pyrimidine-5-sulfonamide
PubChem CID3236899
Molecular FormulaC13H16N4O6S2
Molecular Weight388.43 g/mol
Exact Mass388.05
IUPAC Name6-methyl-2,4-dioxo-N-[2-(4-sulfamoylphenyl)ethyl]-1H-pyrimidine-5-sulfonamide
SMILESCc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)NCCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C13H16N4O6S2/c1-8-11(12(18)17-13(19)16-8)25(22,23)15-7-6-9-2-4-10(5-3-9)24(14,20)21/h2-5,15H,6-7H2,1H3,(H2,14,20,21)(H2,16,17,18,19)
InChIKeyGUGVHAKQICMXOH-UHFFFAOYSA-N
XLogP-1.46
TPSA172.05 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 5-1.46
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-[2-(4-sulfamoylphenyl)ethyl]-1H-pyrimidine-5-sulfonamide?
The IUPAC name of 6-methyl-2,4-dioxo-N-[2-(4-sulfamoylphenyl)ethyl]-1H-pyrimidine-5-sulfonamide (CID 3236899) is 6-methyl-2,4-dioxo-N-[2-(4-sulfamoylphenyl)ethyl]-1H-pyrimidine-5-sulfonamide.
What is the SMILES notation for 6-methyl-2,4-dioxo-N-[2-(4-sulfamoylphenyl)ethyl]-1H-pyrimidine-5-sulfonamide?
The canonical SMILES for 6-methyl-2,4-dioxo-N-[2-(4-sulfamoylphenyl)ethyl]-1H-pyrimidine-5-sulfonamide is Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)NCCc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 6-methyl-2,4-dioxo-N-[2-(4-sulfamoylphenyl)ethyl]-1H-pyrimidine-5-sulfonamide?
The InChIKey is GUGVHAKQICMXOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O6S2/c1-8-11(12(18)17-13(19)16-8)25(22,23)15-7-6-9-2-4-10(5-3-9)24(14,20)21/h2-5,15H,6-7H2,1H3,(H2,14,20,21)(H2,16,17,18,19).
What are the key properties of 6-methyl-2,4-dioxo-N-[2-(4-sulfamoylphenyl)ethyl]-1H-pyrimidine-5-sulfonamide?
6-methyl-2,4-dioxo-N-[2-(4-sulfamoylphenyl)ethyl]-1H-pyrimidine-5-sulfonamide has a molecular weight of 388.43 g/mol, XLogP of -1.46, 6 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-[2-(4-sulfamoylphenyl)ethyl]-1H-pyrimidine-5-sulfonamide is sourced from PubChem (CID 3236899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).