[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]-[1-[2-(trifluoromethyl)phenyl]triazol-4-yl]methanone

C19H18F3N5O3S2 — CID 43073095

IUPAC[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]-[1-[2-(trifluoromethyl)phenyl]triazol-4-yl]methanone
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)c3cn(-c4ccccc4C(F)(F)F)nn3)CC2)s1
InChIInChI=1S/C19H18F3N5O3S2/c1-13-6-7-17(31-13)32(29,30)26-10-8-25(9-11-26)18(28)15-12-27(24-23-15)16-5-3-2-4-14(16)19(20,21)22/h2-7,12H,8-11H2,1H3
InChIKeyVIVBCMSRWPWFHW-UHFFFAOYSA-N
MW485.51 g/mol
LogP2.80
Rot. Bonds4

About [4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]-[1-[2-(trifluoromethyl)phenyl]triazol-4-yl]methanone

[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]-[1-[2-(trifluoromethyl)phenyl]triazol-4-yl]methanone (PubChem CID 43073095) has the molecular formula C19H18F3N5O3S2 and a molecular weight of 485.51 g/mol. Its IUPAC name is [4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]-[1-[2-(trifluoromethyl)phenyl]triazol-4-yl]methanone.

Molecular Properties

Compound Name[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]-[1-[2-(trifluoromethyl)phenyl]triazol-4-yl]methanone
PubChem CID43073095
Molecular FormulaC19H18F3N5O3S2
Molecular Weight485.51 g/mol
Exact Mass485.08
IUPAC Name[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]-[1-[2-(trifluoromethyl)phenyl]triazol-4-yl]methanone
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)c3cn(-c4ccccc4C(F)(F)F)nn3)CC2)s1
InChIInChI=1S/C19H18F3N5O3S2/c1-13-6-7-17(31-13)32(29,30)26-10-8-25(9-11-26)18(28)15-12-27(24-23-15)16-5-3-2-4-14(16)19(20,21)22/h2-7,12H,8-11H2,1H3
InChIKeyVIVBCMSRWPWFHW-UHFFFAOYSA-N
XLogP2.80
TPSA88.40 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.51
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[4-(ethylaminomethyl)piperidin-1-yl]-[1-[2-(trifluoromethyl)phenyl]triazol-4-yl]methanone
CID 119648240
5-methyl-1-[1-[2-(trifluoromethyl)phenyl]triazole-4-carbonyl]piperidine-3-carboxylic acid
CID 122118632
(4-amino-3,3-dimethylpiperidin-1-yl)-[1-[2-(trifluoromethyl)phenyl]triazol-4-yl]methanone
CID 120820021
[4-(5-methylthiophen-2-yl)sulfonyl-1,4-diazepan-1-yl]-phenylmethanone
CID 110798201
N-propyl-1-[1-[2-(trifluoromethyl)phenyl]triazole-4-carbonyl]piperidine-4-carboxamide
CID 112819537
1-(2-tert-butylphenyl)-4-(5-methylthiophen-2-yl)sulfonylpiperazine
CID 113076523
(5-methyl-1-phenylpyrazol-4-yl)-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]methanone
CID 33180759
[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 110805245
N-tert-butyl-4-(5-methylthiophen-2-yl)sulfonylpiperazine-1-carboxamide
CID 110811127
[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]-(4-pyrazol-1-ylphenyl)methanone
CID 24680723
(3-piperazin-1-ylpyrrolidin-1-yl)-[1-[2-(trifluoromethyl)phenyl]triazol-4-yl]methanone
CID 120998025
N-[3-(pyrrolidine-1-carbonyl)phenyl]-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 30886994

Frequently Asked Questions

What is the IUPAC name of [4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]-[1-[2-(trifluoromethyl)phenyl]triazol-4-yl]methanone?
The IUPAC name of [4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]-[1-[2-(trifluoromethyl)phenyl]triazol-4-yl]methanone (CID 43073095) is [4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]-[1-[2-(trifluoromethyl)phenyl]triazol-4-yl]methanone.
What is the SMILES notation for [4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]-[1-[2-(trifluoromethyl)phenyl]triazol-4-yl]methanone?
The canonical SMILES for [4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]-[1-[2-(trifluoromethyl)phenyl]triazol-4-yl]methanone is Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cn(-c4ccccc4C(F)(F)F)nn3)CC2)s1.
What is the InChIKey of [4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]-[1-[2-(trifluoromethyl)phenyl]triazol-4-yl]methanone?
The InChIKey is VIVBCMSRWPWFHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N5O3S2/c1-13-6-7-17(31-13)32(29,30)26-10-8-25(9-11-26)18(28)15-12-27(24-23-15)16-5-3-2-4-14(16)19(20,21)22/h2-7,12H,8-11H2,1H3.
What are the key properties of [4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]-[1-[2-(trifluoromethyl)phenyl]triazol-4-yl]methanone?
[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]-[1-[2-(trifluoromethyl)phenyl]triazol-4-yl]methanone has a molecular weight of 485.51 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]-[1-[2-(trifluoromethyl)phenyl]triazol-4-yl]methanone is sourced from PubChem (CID 43073095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).