N-(2,2-difluoro-3-hydroxypropyl)-1-methylimidazole-4-sulfonamide

C7H11F2N3O3S — CID 104858765

IUPACN-(2,2-difluoro-3-hydroxypropyl)-1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NCC(F)(F)CO)c1
InChIInChI=1S/C7H11F2N3O3S/c1-12-2-6(10-5-12)16(14,15)11-3-7(8,9)4-13/h2,5,11,13H,3-4H2,1H3
InChIKeyAEAVSCYKFXSTHX-UHFFFAOYSA-N
MW255.25 g/mol
LogP-0.67
Rot. Bonds5

About N-(2,2-difluoro-3-hydroxypropyl)-1-methylimidazole-4-sulfonamide

N-(2,2-difluoro-3-hydroxypropyl)-1-methylimidazole-4-sulfonamide (PubChem CID 104858765) has the molecular formula C7H11F2N3O3S and a molecular weight of 255.25 g/mol. Its IUPAC name is N-(2,2-difluoro-3-hydroxypropyl)-1-methylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2,2-difluoro-3-hydroxypropyl)-1-methylimidazole-4-sulfonamide
PubChem CID104858765
Molecular FormulaC7H11F2N3O3S
Molecular Weight255.25 g/mol
Exact Mass255.05
IUPAC NameN-(2,2-difluoro-3-hydroxypropyl)-1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NCC(F)(F)CO)c1
InChIInChI=1S/C7H11F2N3O3S/c1-12-2-6(10-5-12)16(14,15)11-3-7(8,9)4-13/h2,5,11,13H,3-4H2,1H3
InChIKeyAEAVSCYKFXSTHX-UHFFFAOYSA-N
XLogP-0.67
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.25
LogP ≤ 5-0.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,2,2-trifluoroethyl)-1H-imidazole-4-sulfonamide
CID 81339886
1-(3,3,3-Trifluoro-2-hydroxypropyl)imidazole-4-sulfonamide
CID 155187964
1-[3-(2,2,2-Trifluoroethoxy)propyl]imidazole-4-sulfonyl chloride
CID 64145557
N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1H-imidazole-5-sulfonamide
CID 64155557
N,1-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)imidazole-4-sulfonamide
CID 75400521
2-Propan-2-yl-1-[3-(2,2,2-trifluoroethoxy)propyl]imidazole-4-sulfonamide
CID 81337149
2-Propyl-1-[3-(2,2,2-trifluoroethoxy)propyl]imidazole-4-sulfonamide
CID 81337177
1-(Difluoromethyl)imidazole-4-sulfonamide
CID 81339703
2-Methyl-1-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide
CID 81339711
2-Methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]imidazole-4-sulfonamide
CID 81339990
1-(3,3,3-Trifluoropropyl)imidazole-4-sulfonamide
CID 81340266
1-(2,2-Difluoroethyl)imidazole-4-sulfonamide
CID 81340351

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-1-methylimidazole-4-sulfonamide?
The IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-1-methylimidazole-4-sulfonamide (CID 104858765) is N-(2,2-difluoro-3-hydroxypropyl)-1-methylimidazole-4-sulfonamide.
What is the SMILES notation for N-(2,2-difluoro-3-hydroxypropyl)-1-methylimidazole-4-sulfonamide?
The canonical SMILES for N-(2,2-difluoro-3-hydroxypropyl)-1-methylimidazole-4-sulfonamide is Cn1cnc(S(=O)(=O)NCC(F)(F)CO)c1.
What is the InChIKey of N-(2,2-difluoro-3-hydroxypropyl)-1-methylimidazole-4-sulfonamide?
The InChIKey is AEAVSCYKFXSTHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2N3O3S/c1-12-2-6(10-5-12)16(14,15)11-3-7(8,9)4-13/h2,5,11,13H,3-4H2,1H3.
What are the key properties of N-(2,2-difluoro-3-hydroxypropyl)-1-methylimidazole-4-sulfonamide?
N-(2,2-difluoro-3-hydroxypropyl)-1-methylimidazole-4-sulfonamide has a molecular weight of 255.25 g/mol, XLogP of -0.67, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-3-hydroxypropyl)-1-methylimidazole-4-sulfonamide is sourced from PubChem (CID 104858765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).