1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrazole-4-sulfonamide

C8H6F3N5O2S — CID 174212759

IUPAC1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrazole-4-sulfonamide
SMILESNS(=O)(=O)c1cnn(-c2cc(C(F)(F)F)ncn2)c1
InChIInChI=1S/C8H6F3N5O2S/c9-8(10,11)6-1-7(14-4-13-6)16-3-5(2-15-16)19(12,17)18/h1-4H,(H2,12,17,18)
InChIKeyCBMUARRSUORHPO-UHFFFAOYSA-N
MW293.23 g/mol
LogP0.33
Rot. Bonds2

About 1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrazole-4-sulfonamide

1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrazole-4-sulfonamide (PubChem CID 174212759) has the molecular formula C8H6F3N5O2S and a molecular weight of 293.23 g/mol. Its IUPAC name is 1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrazole-4-sulfonamide
PubChem CID174212759
Molecular FormulaC8H6F3N5O2S
Molecular Weight293.23 g/mol
Exact Mass293.02
IUPAC Name1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrazole-4-sulfonamide
SMILESNS(=O)(=O)c1cnn(-c2cc(C(F)(F)F)ncn2)c1
InChIInChI=1S/C8H6F3N5O2S/c9-8(10,11)6-1-7(14-4-13-6)16-3-5(2-15-16)19(12,17)18/h1-4H,(H2,12,17,18)
InChIKeyCBMUARRSUORHPO-UHFFFAOYSA-N
XLogP0.33
TPSA103.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.23
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrazole-4-sulfonamide?
The IUPAC name of 1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrazole-4-sulfonamide (CID 174212759) is 1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrazole-4-sulfonamide?
The canonical SMILES for 1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrazole-4-sulfonamide is NS(=O)(=O)c1cnn(-c2cc(C(F)(F)F)ncn2)c1.
What is the InChIKey of 1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrazole-4-sulfonamide?
The InChIKey is CBMUARRSUORHPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3N5O2S/c9-8(10,11)6-1-7(14-4-13-6)16-3-5(2-15-16)19(12,17)18/h1-4H,(H2,12,17,18).
What are the key properties of 1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrazole-4-sulfonamide?
1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrazole-4-sulfonamide has a molecular weight of 293.23 g/mol, XLogP of 0.33, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrazole-4-sulfonamide is sourced from PubChem (CID 174212759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).