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

C8H12F3N3O3S — CID 113317195

IUPAC1,2-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)imidazole-4-sulfonamide
SMILESCc1nc(S(=O)(=O)NCC(O)C(F)(F)F)cn1C
InChIInChI=1S/C8H12F3N3O3S/c1-5-13-7(4-14(5)2)18(16,17)12-3-6(15)8(9,10)11/h4,6,12,15H,3H2,1-2H3
InChIKeyYQEYHPKARGRIPU-UHFFFAOYSA-N
MW287.26 g/mol
LogP-0.07
Rot. Bonds4

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

1,2-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)imidazole-4-sulfonamide (PubChem CID 113317195) has the molecular formula C8H12F3N3O3S and a molecular weight of 287.26 g/mol. Its IUPAC name is 1,2-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)imidazole-4-sulfonamide.

Molecular Properties

Compound Name1,2-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)imidazole-4-sulfonamide
PubChem CID113317195
Molecular FormulaC8H12F3N3O3S
Molecular Weight287.26 g/mol
Exact Mass287.06
IUPAC Name1,2-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)imidazole-4-sulfonamide
SMILESCc1nc(S(=O)(=O)NCC(O)C(F)(F)F)cn1C
InChIInChI=1S/C8H12F3N3O3S/c1-5-13-7(4-14(5)2)18(16,17)12-3-6(15)8(9,10)11/h4,6,12,15H,3H2,1-2H3
InChIKeyYQEYHPKARGRIPU-UHFFFAOYSA-N
XLogP-0.07
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.26
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)imidazole-4-sulfonamide?
The IUPAC name of 1,2-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)imidazole-4-sulfonamide (CID 113317195) is 1,2-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)imidazole-4-sulfonamide.
What is the SMILES notation for 1,2-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)imidazole-4-sulfonamide?
The canonical SMILES for 1,2-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)imidazole-4-sulfonamide is Cc1nc(S(=O)(=O)NCC(O)C(F)(F)F)cn1C.
What is the InChIKey of 1,2-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)imidazole-4-sulfonamide?
The InChIKey is YQEYHPKARGRIPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3O3S/c1-5-13-7(4-14(5)2)18(16,17)12-3-6(15)8(9,10)11/h4,6,12,15H,3H2,1-2H3.
What are the key properties of 1,2-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)imidazole-4-sulfonamide?
1,2-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)imidazole-4-sulfonamide has a molecular weight of 287.26 g/mol, XLogP of -0.07, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)imidazole-4-sulfonamide is sourced from PubChem (CID 113317195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).