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

C8H12F3N3O3S — CID 75400521

IUPACN,1-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)imidazole-4-sulfonamide
SMILESCN(CC(O)C(F)(F)F)S(=O)(=O)c1cn(C)cn1
InChIInChI=1S/C8H12F3N3O3S/c1-13-4-7(12-5-13)18(16,17)14(2)3-6(15)8(9,10)11/h4-6,15H,3H2,1-2H3
InChIKeyWFECNGDPBCAAQS-UHFFFAOYSA-N
MW287.26 g/mol
LogP-0.04
Rot. Bonds4

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

N,1-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)imidazole-4-sulfonamide (PubChem CID 75400521) has the molecular formula C8H12F3N3O3S and a molecular weight of 287.26 g/mol. Its IUPAC name is N,1-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)imidazole-4-sulfonamide.

Molecular Properties

Compound NameN,1-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)imidazole-4-sulfonamide
PubChem CID75400521
Molecular FormulaC8H12F3N3O3S
Molecular Weight287.26 g/mol
Exact Mass287.06
IUPAC NameN,1-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)imidazole-4-sulfonamide
SMILESCN(CC(O)C(F)(F)F)S(=O)(=O)c1cn(C)cn1
InChIInChI=1S/C8H12F3N3O3S/c1-13-4-7(12-5-13)18(16,17)14(2)3-6(15)8(9,10)11/h4-6,15H,3H2,1-2H3
InChIKeyWFECNGDPBCAAQS-UHFFFAOYSA-N
XLogP-0.04
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.26
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)imidazole-4-sulfonamide?
The IUPAC name of N,1-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)imidazole-4-sulfonamide (CID 75400521) is N,1-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)imidazole-4-sulfonamide.
What is the SMILES notation for N,1-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)imidazole-4-sulfonamide?
The canonical SMILES for N,1-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)imidazole-4-sulfonamide is CN(CC(O)C(F)(F)F)S(=O)(=O)c1cn(C)cn1.
What is the InChIKey of N,1-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)imidazole-4-sulfonamide?
The InChIKey is WFECNGDPBCAAQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3O3S/c1-13-4-7(12-5-13)18(16,17)14(2)3-6(15)8(9,10)11/h4-6,15H,3H2,1-2H3.
What are the key properties of N,1-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)imidazole-4-sulfonamide?
N,1-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)imidazole-4-sulfonamide has a molecular weight of 287.26 g/mol, XLogP of -0.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)imidazole-4-sulfonamide is sourced from PubChem (CID 75400521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).