2,4-dioxo-N-[2-(1-phenyltriazol-4-yl)phenyl]-1H-pyrimidine-5-sulfonamide

C18H14N6O4S — CID 155527132

IUPAC2,4-dioxo-N-[2-(1-phenyltriazol-4-yl)phenyl]-1H-pyrimidine-5-sulfonamide
SMILESO=c1[nH]cc(S(=O)(=O)Nc2ccccc2-c2cn(-c3ccccc3)nn2)c(=O)[nH]1
InChIInChI=1S/C18H14N6O4S/c25-17-16(10-19-18(26)20-17)29(27,28)22-14-9-5-4-8-13(14)15-11-24(23-21-15)12-6-2-1-3-7-12/h1-11,22H,(H2,19,20,25,26)
InChIKeyFAHGGUZAHXPPAI-UHFFFAOYSA-N
MW410.42 g/mol
LogP1.11
Rot. Bonds5

About 2,4-dioxo-N-[2-(1-phenyltriazol-4-yl)phenyl]-1H-pyrimidine-5-sulfonamide

2,4-dioxo-N-[2-(1-phenyltriazol-4-yl)phenyl]-1H-pyrimidine-5-sulfonamide (PubChem CID 155527132) has the molecular formula C18H14N6O4S and a molecular weight of 410.42 g/mol. Its IUPAC name is 2,4-dioxo-N-[2-(1-phenyltriazol-4-yl)phenyl]-1H-pyrimidine-5-sulfonamide.

Molecular Properties

Compound Name2,4-dioxo-N-[2-(1-phenyltriazol-4-yl)phenyl]-1H-pyrimidine-5-sulfonamide
PubChem CID155527132
Molecular FormulaC18H14N6O4S
Molecular Weight410.42 g/mol
Exact Mass410.08
IUPAC Name2,4-dioxo-N-[2-(1-phenyltriazol-4-yl)phenyl]-1H-pyrimidine-5-sulfonamide
SMILESO=c1[nH]cc(S(=O)(=O)Nc2ccccc2-c2cn(-c3ccccc3)nn2)c(=O)[nH]1
InChIInChI=1S/C18H14N6O4S/c25-17-16(10-19-18(26)20-17)29(27,28)22-14-9-5-4-8-13(14)15-11-24(23-21-15)12-6-2-1-3-7-12/h1-11,22H,(H2,19,20,25,26)
InChIKeyFAHGGUZAHXPPAI-UHFFFAOYSA-N
XLogP1.11
TPSA142.60 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.42
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

4-[4-[(2,4-Dioxopyrimidin-1-yl)methyl]triazol-1-yl]benzenesulfonamide
CID 145954932
N-[6-[3-[4-(aminomethyl)triazol-1-yl]propylamino]-1-benzyl-2,4-dioxopyrimidin-5-yl]-N-methylbenzenesulfonamide
CID 154572774
N-[2-[1-(3-chlorophenyl)triazol-4-yl]phenyl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide
CID 155526315
N-[4-[1-(4-chlorophenyl)triazol-4-yl]phenyl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide
CID 155527974
N-[3-[1-(4-chlorophenyl)triazol-4-yl]phenyl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide
CID 155552168
N-[2-[1-(2-chlorophenyl)triazol-4-yl]phenyl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide
CID 155552374
N-[2-[1-(4-chlorophenyl)triazol-4-yl]phenyl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide
CID 155555206
N-[3-[1-(3-chlorophenyl)triazol-4-yl]phenyl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide
CID 155567595
N-[4-[1-(4-fluorophenyl)triazol-4-yl]phenyl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide
CID 155511715
N-[4-[1-(2-methylphenyl)triazol-4-yl]phenyl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide
CID 155514542
2,4-dioxo-N-(4-(1-phenyl-1h-1,2,3-triazol-4-yl)phenyl)-1,2,3,4-tetrahydropyrimidine-5-sulfonamide
CID 155516844
N-[4-[1-(4-methylphenyl)triazol-4-yl]phenyl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide
CID 155518849

Frequently Asked Questions

What is the IUPAC name of 2,4-dioxo-N-[2-(1-phenyltriazol-4-yl)phenyl]-1H-pyrimidine-5-sulfonamide?
The IUPAC name of 2,4-dioxo-N-[2-(1-phenyltriazol-4-yl)phenyl]-1H-pyrimidine-5-sulfonamide (CID 155527132) is 2,4-dioxo-N-[2-(1-phenyltriazol-4-yl)phenyl]-1H-pyrimidine-5-sulfonamide.
What is the SMILES notation for 2,4-dioxo-N-[2-(1-phenyltriazol-4-yl)phenyl]-1H-pyrimidine-5-sulfonamide?
The canonical SMILES for 2,4-dioxo-N-[2-(1-phenyltriazol-4-yl)phenyl]-1H-pyrimidine-5-sulfonamide is O=c1[nH]cc(S(=O)(=O)Nc2ccccc2-c2cn(-c3ccccc3)nn2)c(=O)[nH]1.
What is the InChIKey of 2,4-dioxo-N-[2-(1-phenyltriazol-4-yl)phenyl]-1H-pyrimidine-5-sulfonamide?
The InChIKey is FAHGGUZAHXPPAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N6O4S/c25-17-16(10-19-18(26)20-17)29(27,28)22-14-9-5-4-8-13(14)15-11-24(23-21-15)12-6-2-1-3-7-12/h1-11,22H,(H2,19,20,25,26).
What are the key properties of 2,4-dioxo-N-[2-(1-phenyltriazol-4-yl)phenyl]-1H-pyrimidine-5-sulfonamide?
2,4-dioxo-N-[2-(1-phenyltriazol-4-yl)phenyl]-1H-pyrimidine-5-sulfonamide has a molecular weight of 410.42 g/mol, XLogP of 1.11, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dioxo-N-[2-(1-phenyltriazol-4-yl)phenyl]-1H-pyrimidine-5-sulfonamide is sourced from PubChem (CID 155527132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).