5-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]-2-methyl-4H-1,2,4-triazol-3-one

C15H19N5O5S — CID 162633164

IUPAC5-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]-2-methyl-4H-1,2,4-triazol-3-one
SMILESCOc1ccc(S(=O)(=O)N2CCN(C(=O)c3nn(C)c(=O)[nH]3)CC2)cc1
InChIInChI=1S/C15H19N5O5S/c1-18-15(22)16-13(17-18)14(21)19-7-9-20(10-8-19)26(23,24)12-5-3-11(25-2)4-6-12/h3-6H,7-10H2,1-2H3,(H,16,17,22)
InChIKeyPFXVMFCGABZSSE-UHFFFAOYSA-N
MW381.41 g/mol
LogP-0.74
Rot. Bonds4

About 5-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]-2-methyl-4H-1,2,4-triazol-3-one

5-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]-2-methyl-4H-1,2,4-triazol-3-one (PubChem CID 162633164) has the molecular formula C15H19N5O5S and a molecular weight of 381.41 g/mol. Its IUPAC name is 5-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]-2-methyl-4H-1,2,4-triazol-3-one.

Molecular Properties

Compound Name5-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]-2-methyl-4H-1,2,4-triazol-3-one
PubChem CID162633164
Molecular FormulaC15H19N5O5S
Molecular Weight381.41 g/mol
Exact Mass381.11
IUPAC Name5-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]-2-methyl-4H-1,2,4-triazol-3-one
SMILESCOc1ccc(S(=O)(=O)N2CCN(C(=O)c3nn(C)c(=O)[nH]3)CC2)cc1
InChIInChI=1S/C15H19N5O5S/c1-18-15(22)16-13(17-18)14(21)19-7-9-20(10-8-19)26(23,24)12-5-3-11(25-2)4-6-12/h3-6H,7-10H2,1-2H3,(H,16,17,22)
InChIKeyPFXVMFCGABZSSE-UHFFFAOYSA-N
XLogP-0.74
TPSA117.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 5-0.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]-2-methyl-4H-1,2,4-triazol-3-one with MolForge

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Related Compounds

3-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]-1H-pyridazin-6-one
CID 2031185
[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 110646184
[4-(benzenesulfonyl)piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 1148025
1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2,2-dimethylpropan-1-one
CID 17191308
(2-hydroxy-4-methylphenyl)-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone
CID 34231889
[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-(4-methyl-1,2,5-thiadiazol-3-yl)methanone
CID 138810631
(3-aminopyrazin-2-yl)-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone
CID 18274312
[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-(4-phenoxyphenyl)methanone
CID 26868880
[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-(3-propan-2-ylthiophen-2-yl)methanone
CID 60567147
[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-[4-(tetrazol-1-yl)phenyl]methanone
CID 28934975
(5-chloropyrazolo[1,5-a]pyridin-2-yl)-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone
CID 100754007
(4-chlorophenyl)-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone;oxalic acid
CID 126477379

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]-2-methyl-4H-1,2,4-triazol-3-one?
The IUPAC name of 5-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]-2-methyl-4H-1,2,4-triazol-3-one (CID 162633164) is 5-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]-2-methyl-4H-1,2,4-triazol-3-one.
What is the SMILES notation for 5-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]-2-methyl-4H-1,2,4-triazol-3-one?
The canonical SMILES for 5-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]-2-methyl-4H-1,2,4-triazol-3-one is COc1ccc(S(=O)(=O)N2CCN(C(=O)c3nn(C)c(=O)[nH]3)CC2)cc1.
What is the InChIKey of 5-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]-2-methyl-4H-1,2,4-triazol-3-one?
The InChIKey is PFXVMFCGABZSSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O5S/c1-18-15(22)16-13(17-18)14(21)19-7-9-20(10-8-19)26(23,24)12-5-3-11(25-2)4-6-12/h3-6H,7-10H2,1-2H3,(H,16,17,22).
What are the key properties of 5-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]-2-methyl-4H-1,2,4-triazol-3-one?
5-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]-2-methyl-4H-1,2,4-triazol-3-one has a molecular weight of 381.41 g/mol, XLogP of -0.74, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]-2-methyl-4H-1,2,4-triazol-3-one is sourced from PubChem (CID 162633164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).