N-[3-[1-(3-methylphenyl)triazol-4-yl]phenyl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide

C19H16N6O4S — CID 155534095

IUPACN-[3-[1-(3-methylphenyl)triazol-4-yl]phenyl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide
SMILESCc1cccc(-n2cc(-c3cccc(NS(=O)(=O)c4c[nH]c(=O)[nH]c4=O)c3)nn2)c1
InChIInChI=1S/C19H16N6O4S/c1-12-4-2-7-15(8-12)25-11-16(22-24-25)13-5-3-6-14(9-13)23-30(28,29)17-10-20-19(27)21-18(17)26/h2-11,23H,1H3,(H2,20,21,26,27)
InChIKeyLMNWQZTYJKJUAL-UHFFFAOYSA-N
MW424.44 g/mol
LogP1.42
Rot. Bonds5

About N-[3-[1-(3-methylphenyl)triazol-4-yl]phenyl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide

N-[3-[1-(3-methylphenyl)triazol-4-yl]phenyl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide (PubChem CID 155534095) has the molecular formula C19H16N6O4S and a molecular weight of 424.44 g/mol. Its IUPAC name is N-[3-[1-(3-methylphenyl)triazol-4-yl]phenyl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN-[3-[1-(3-methylphenyl)triazol-4-yl]phenyl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide
PubChem CID155534095
Molecular FormulaC19H16N6O4S
Molecular Weight424.44 g/mol
Exact Mass424.10
IUPAC NameN-[3-[1-(3-methylphenyl)triazol-4-yl]phenyl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide
SMILESCc1cccc(-n2cc(-c3cccc(NS(=O)(=O)c4c[nH]c(=O)[nH]c4=O)c3)nn2)c1
InChIInChI=1S/C19H16N6O4S/c1-12-4-2-7-15(8-12)25-11-16(22-24-25)13-5-3-6-14(9-13)23-30(28,29)17-10-20-19(27)21-18(17)26/h2-11,23H,1H3,(H2,20,21,26,27)
InChIKeyLMNWQZTYJKJUAL-UHFFFAOYSA-N
XLogP1.42
TPSA142.60 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.44
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

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
N-[4-[1-(3-chlorophenyl)triazol-4-yl]phenyl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide
CID 155526581

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(3-methylphenyl)triazol-4-yl]phenyl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
The IUPAC name of N-[3-[1-(3-methylphenyl)triazol-4-yl]phenyl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide (CID 155534095) is N-[3-[1-(3-methylphenyl)triazol-4-yl]phenyl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide.
What is the SMILES notation for N-[3-[1-(3-methylphenyl)triazol-4-yl]phenyl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
The canonical SMILES for N-[3-[1-(3-methylphenyl)triazol-4-yl]phenyl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide is Cc1cccc(-n2cc(-c3cccc(NS(=O)(=O)c4c[nH]c(=O)[nH]c4=O)c3)nn2)c1.
What is the InChIKey of N-[3-[1-(3-methylphenyl)triazol-4-yl]phenyl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
The InChIKey is LMNWQZTYJKJUAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O4S/c1-12-4-2-7-15(8-12)25-11-16(22-24-25)13-5-3-6-14(9-13)23-30(28,29)17-10-20-19(27)21-18(17)26/h2-11,23H,1H3,(H2,20,21,26,27).
What are the key properties of N-[3-[1-(3-methylphenyl)triazol-4-yl]phenyl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
N-[3-[1-(3-methylphenyl)triazol-4-yl]phenyl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide has a molecular weight of 424.44 g/mol, XLogP of 1.42, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-(3-methylphenyl)triazol-4-yl]phenyl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide is sourced from PubChem (CID 155534095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).