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

C9H15F2N3O3S — CID 104858830

IUPACN-(2,2-difluoro-3-hydroxypropyl)-1-ethyl-2-methylimidazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NCC(F)(F)CO)nc1C
InChIInChI=1S/C9H15F2N3O3S/c1-3-14-4-8(13-7(14)2)18(16,17)12-5-9(10,11)6-15/h4,12,15H,3,5-6H2,1-2H3
InChIKeyNDADGOUTWBXZHH-UHFFFAOYSA-N
MW283.30 g/mol
LogP0.12
Rot. Bonds6

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

N-(2,2-difluoro-3-hydroxypropyl)-1-ethyl-2-methylimidazole-4-sulfonamide (PubChem CID 104858830) has the molecular formula C9H15F2N3O3S and a molecular weight of 283.30 g/mol. Its IUPAC name is N-(2,2-difluoro-3-hydroxypropyl)-1-ethyl-2-methylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2,2-difluoro-3-hydroxypropyl)-1-ethyl-2-methylimidazole-4-sulfonamide
PubChem CID104858830
Molecular FormulaC9H15F2N3O3S
Molecular Weight283.30 g/mol
Exact Mass283.08
IUPAC NameN-(2,2-difluoro-3-hydroxypropyl)-1-ethyl-2-methylimidazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NCC(F)(F)CO)nc1C
InChIInChI=1S/C9H15F2N3O3S/c1-3-14-4-8(13-7(14)2)18(16,17)12-5-9(10,11)6-15/h4,12,15H,3,5-6H2,1-2H3
InChIKeyNDADGOUTWBXZHH-UHFFFAOYSA-N
XLogP0.12
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1,2-dimethyl-1H-imidazole-4-sulfonamido)propanoic acid
CID 47002352
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)-2-methyl-N-(2,2,2-trifluoroethyl)-1H-imidazole-5-sulfonamide
CID 64150067
2-ethyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1H-imidazole-5-sulfonamide
CID 64150068
2-Propan-2-yl-1-[3-(2,2,2-trifluoroethoxy)propyl]imidazole-4-sulfonyl chloride
CID 64152139
2-Ethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]imidazole-4-sulfonyl chloride
CID 64152341
2-Propyl-1-[3-(2,2,2-trifluoroethoxy)propyl]imidazole-4-sulfonyl chloride
CID 64152647
2-Methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]imidazole-4-sulfonyl chloride
CID 64156017
2-Ethyl-1-[2-(trifluoromethoxy)ethyl]imidazole-4-sulfonyl chloride
CID 65804361
N,1-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)imidazole-4-sulfonamide
CID 75400521
2-[(1-Ethyl-2-methylimidazol-4-yl)sulfonylamino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 79790269

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-1-ethyl-2-methylimidazole-4-sulfonamide?
The IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-1-ethyl-2-methylimidazole-4-sulfonamide (CID 104858830) is N-(2,2-difluoro-3-hydroxypropyl)-1-ethyl-2-methylimidazole-4-sulfonamide.
What is the SMILES notation for N-(2,2-difluoro-3-hydroxypropyl)-1-ethyl-2-methylimidazole-4-sulfonamide?
The canonical SMILES for N-(2,2-difluoro-3-hydroxypropyl)-1-ethyl-2-methylimidazole-4-sulfonamide is CCn1cc(S(=O)(=O)NCC(F)(F)CO)nc1C.
What is the InChIKey of N-(2,2-difluoro-3-hydroxypropyl)-1-ethyl-2-methylimidazole-4-sulfonamide?
The InChIKey is NDADGOUTWBXZHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2N3O3S/c1-3-14-4-8(13-7(14)2)18(16,17)12-5-9(10,11)6-15/h4,12,15H,3,5-6H2,1-2H3.
What are the key properties of N-(2,2-difluoro-3-hydroxypropyl)-1-ethyl-2-methylimidazole-4-sulfonamide?
N-(2,2-difluoro-3-hydroxypropyl)-1-ethyl-2-methylimidazole-4-sulfonamide has a molecular weight of 283.30 g/mol, XLogP of 0.12, 6 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-ethyl-2-methylimidazole-4-sulfonamide is sourced from PubChem (CID 104858830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).