1-(3,3,3-trifluoro-2-hydroxypropyl)imidazole-4-sulfonamide

C6H8F3N3O3S — CID 155187964

IUPAC1-(3,3,3-trifluoro-2-hydroxypropyl)imidazole-4-sulfonamide
SMILESNS(=O)(=O)c1cn(CC(O)C(F)(F)F)cn1
InChIInChI=1S/C6H8F3N3O3S/c7-6(8,9)4(13)1-12-2-5(11-3-12)16(10,14)15/h2-4,13H,1H2,(H2,10,14,15)
InChIKeyGQWXBIPQLZCNJR-UHFFFAOYSA-N
MW259.21 g/mol
LogP-0.55
Rot. Bonds3

About 1-(3,3,3-trifluoro-2-hydroxypropyl)imidazole-4-sulfonamide

1-(3,3,3-trifluoro-2-hydroxypropyl)imidazole-4-sulfonamide (PubChem CID 155187964) 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)imidazole-4-sulfonamide.

Molecular Properties

Compound Name1-(3,3,3-trifluoro-2-hydroxypropyl)imidazole-4-sulfonamide
PubChem CID155187964
Molecular FormulaC6H8F3N3O3S
Molecular Weight259.21 g/mol
Exact Mass259.02
IUPAC Name1-(3,3,3-trifluoro-2-hydroxypropyl)imidazole-4-sulfonamide
SMILESNS(=O)(=O)c1cn(CC(O)C(F)(F)F)cn1
InChIInChI=1S/C6H8F3N3O3S/c7-6(8,9)4(13)1-12-2-5(11-3-12)16(10,14)15/h2-4,13H,1H2,(H2,10,14,15)
InChIKeyGQWXBIPQLZCNJR-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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Frequently Asked Questions

What is the IUPAC name of 1-(3,3,3-trifluoro-2-hydroxypropyl)imidazole-4-sulfonamide?
The IUPAC name of 1-(3,3,3-trifluoro-2-hydroxypropyl)imidazole-4-sulfonamide (CID 155187964) is 1-(3,3,3-trifluoro-2-hydroxypropyl)imidazole-4-sulfonamide.
What is the SMILES notation for 1-(3,3,3-trifluoro-2-hydroxypropyl)imidazole-4-sulfonamide?
The canonical SMILES for 1-(3,3,3-trifluoro-2-hydroxypropyl)imidazole-4-sulfonamide is NS(=O)(=O)c1cn(CC(O)C(F)(F)F)cn1.
What is the InChIKey of 1-(3,3,3-trifluoro-2-hydroxypropyl)imidazole-4-sulfonamide?
The InChIKey is GQWXBIPQLZCNJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3N3O3S/c7-6(8,9)4(13)1-12-2-5(11-3-12)16(10,14)15/h2-4,13H,1H2,(H2,10,14,15).
What are the key properties of 1-(3,3,3-trifluoro-2-hydroxypropyl)imidazole-4-sulfonamide?
1-(3,3,3-trifluoro-2-hydroxypropyl)imidazole-4-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)imidazole-4-sulfonamide is sourced from PubChem (CID 155187964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).