1-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-3-sulfonamide

C6H8F3N3O3S — CID 142588003

IUPAC1-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-3-sulfonamide
SMILESNS(=O)(=O)c1ccn(CC(O)C(F)(F)F)n1
InChIInChI=1S/C6H8F3N3O3S/c7-6(8,9)4(13)3-12-2-1-5(11-12)16(10,14)15/h1-2,4,13H,3H2,(H2,10,14,15)
InChIKeyOOGMMTQANHQPHG-UHFFFAOYSA-N
MW259.21 g/mol
LogP-0.55
Rot. Bonds3

About 1-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-3-sulfonamide

1-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-3-sulfonamide (PubChem CID 142588003) has the molecular formula C6H8F3N3O3S and a molecular weight of 259.21 g/mol. Its IUPAC name is 1-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-3-sulfonamide.

Molecular Properties

Compound Name1-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-3-sulfonamide
PubChem CID142588003
Molecular FormulaC6H8F3N3O3S
Molecular Weight259.21 g/mol
Exact Mass259.02
IUPAC Name1-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-3-sulfonamide
SMILESNS(=O)(=O)c1ccn(CC(O)C(F)(F)F)n1
InChIInChI=1S/C6H8F3N3O3S/c7-6(8,9)4(13)3-12-2-1-5(11-12)16(10,14)15/h1-2,4,13H,3H2,(H2,10,14,15)
InChIKeyOOGMMTQANHQPHG-UHFFFAOYSA-N
XLogP-0.55
TPSA98.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.21
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1H-Pyrazole-3-sulfonyl chloride, 1-(2,2,2-trifluoroethyl)-
CID 66509474
1-ethyl-1H-pyrazole-3-sulfonamide
CID 130495889
1-(2,2-difluoroethyl)-1H-pyrazole-3-sulfonyl chloride
CID 155821840
1-(trifluoromethyl)-1H-pyrazole-3-sulfonamide
CID 122480583
1-(2,2,2-trifluoroethyl)-1H-pyrazole-3-sulfonamide
CID 145867445
4-Fluoro-1-(2-hydroxyethyl)pyrazole-3-sulfonamide
CID 146570537
4-fluoro-1-[(2R)-2-hydroxypropyl]pyrazole-3-sulfonamide
CID 146570976
4-Fluoro-1-(2-hydroxypropyl)pyrazole-3-sulfonamide
CID 146570977
1-(1,1-Difluoroethyl)pyrazole-3-sulfonamide
CID 146571437
1-(Difluoromethyl)pyrazole-3-sulfonamide
CID 146617555
1-(2,2-difluoroethyl)-1H-pyrazole-3-sulfonamide
CID 153592336
4-fluoro-1-[(2R)-2-hydroxypropyl]pyrazole-3-sulfinamide
CID 154662132

Frequently Asked Questions

What is the IUPAC name of 1-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-3-sulfonamide?
The IUPAC name of 1-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-3-sulfonamide (CID 142588003) is 1-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-3-sulfonamide.
What is the SMILES notation for 1-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-3-sulfonamide?
The canonical SMILES for 1-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-3-sulfonamide is NS(=O)(=O)c1ccn(CC(O)C(F)(F)F)n1.
What is the InChIKey of 1-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-3-sulfonamide?
The InChIKey is OOGMMTQANHQPHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3N3O3S/c7-6(8,9)4(13)3-12-2-1-5(11-12)16(10,14)15/h1-2,4,13H,3H2,(H2,10,14,15).
What are the key properties of 1-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-3-sulfonamide?
1-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-3-sulfonamide has a molecular weight of 259.21 g/mol, XLogP of -0.55, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-3-sulfonamide is sourced from PubChem (CID 142588003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).