1-methyl-N-[[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methyl]pyrazole-4-sulfonamide

C8H8F3N5O3S — CID 100612603

IUPAC1-methyl-N-[[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methyl]pyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)NCc2noc(C(F)(F)F)n2)cn1
InChIInChI=1S/C8H8F3N5O3S/c1-16-4-5(2-12-16)20(17,18)13-3-6-14-7(19-15-6)8(9,10)11/h2,4,13H,3H2,1H3
InChIKeyVTSSYJPCSKHPKN-UHFFFAOYSA-N
MW311.25 g/mol
LogP0.30
Rot. Bonds4

About 1-methyl-N-[[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methyl]pyrazole-4-sulfonamide

1-methyl-N-[[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methyl]pyrazole-4-sulfonamide (PubChem CID 100612603) has the molecular formula C8H8F3N5O3S and a molecular weight of 311.25 g/mol. Its IUPAC name is 1-methyl-N-[[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-methyl-N-[[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methyl]pyrazole-4-sulfonamide
PubChem CID100612603
Molecular FormulaC8H8F3N5O3S
Molecular Weight311.25 g/mol
Exact Mass311.03
IUPAC Name1-methyl-N-[[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methyl]pyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)NCc2noc(C(F)(F)F)n2)cn1
InChIInChI=1S/C8H8F3N5O3S/c1-16-4-5(2-12-16)20(17,18)13-3-6-14-7(19-15-6)8(9,10)11/h2,4,13H,3H2,1H3
InChIKeyVTSSYJPCSKHPKN-UHFFFAOYSA-N
XLogP0.30
TPSA102.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.25
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methyl]pyrazole-4-sulfonamide?
The IUPAC name of 1-methyl-N-[[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methyl]pyrazole-4-sulfonamide (CID 100612603) is 1-methyl-N-[[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1-methyl-N-[[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methyl]pyrazole-4-sulfonamide?
The canonical SMILES for 1-methyl-N-[[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methyl]pyrazole-4-sulfonamide is Cn1cc(S(=O)(=O)NCc2noc(C(F)(F)F)n2)cn1.
What is the InChIKey of 1-methyl-N-[[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methyl]pyrazole-4-sulfonamide?
The InChIKey is VTSSYJPCSKHPKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N5O3S/c1-16-4-5(2-12-16)20(17,18)13-3-6-14-7(19-15-6)8(9,10)11/h2,4,13H,3H2,1H3.
What are the key properties of 1-methyl-N-[[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methyl]pyrazole-4-sulfonamide?
1-methyl-N-[[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methyl]pyrazole-4-sulfonamide has a molecular weight of 311.25 g/mol, XLogP of 0.30, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 100612603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).