1-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide

C10H14F3N3O3S — CID 154739990

IUPAC1-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
SMILESO=S(=O)(NCC(F)(F)F)c1cnn(C2CCOCC2)c1
InChIInChI=1S/C10H14F3N3O3S/c11-10(12,13)7-15-20(17,18)9-5-14-16(6-9)8-1-3-19-4-2-8/h5-6,8,15H,1-4,7H2
InChIKeySAOGYRUXVFBCEC-UHFFFAOYSA-N
MW313.30 g/mol
LogP1.08
Rot. Bonds4

About 1-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide

1-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide (PubChem CID 154739990) has the molecular formula C10H14F3N3O3S and a molecular weight of 313.30 g/mol. Its IUPAC name is 1-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
PubChem CID154739990
Molecular FormulaC10H14F3N3O3S
Molecular Weight313.30 g/mol
Exact Mass313.07
IUPAC Name1-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
SMILESO=S(=O)(NCC(F)(F)F)c1cnn(C2CCOCC2)c1
InChIInChI=1S/C10H14F3N3O3S/c11-10(12,13)7-15-20(17,18)9-5-14-16(6-9)8-1-3-19-4-2-8/h5-6,8,15H,1-4,7H2
InChIKeySAOGYRUXVFBCEC-UHFFFAOYSA-N
XLogP1.08
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.30
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide?
The IUPAC name of 1-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide (CID 154739990) is 1-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide?
The canonical SMILES for 1-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide is O=S(=O)(NCC(F)(F)F)c1cnn(C2CCOCC2)c1.
What is the InChIKey of 1-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide?
The InChIKey is SAOGYRUXVFBCEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O3S/c11-10(12,13)7-15-20(17,18)9-5-14-16(6-9)8-1-3-19-4-2-8/h5-6,8,15H,1-4,7H2.
What are the key properties of 1-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide?
1-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide has a molecular weight of 313.30 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 154739990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).