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

C8H13F2N3O3S — CID 103836911

IUPACN-(3,3-difluoro-2-hydroxypropyl)-1-ethylimidazole-4-sulfonamide
SMILESCCn1cnc(S(=O)(=O)NCC(O)C(F)F)c1
InChIInChI=1S/C8H13F2N3O3S/c1-2-13-4-7(11-5-13)17(15,16)12-3-6(14)8(9)10/h4-6,8,12,14H,2-3H2,1H3
InChIKeyQLCOPRIUCOYOMI-UHFFFAOYSA-N
MW269.27 g/mol
LogP-0.19
Rot. Bonds6

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

N-(3,3-difluoro-2-hydroxypropyl)-1-ethylimidazole-4-sulfonamide (PubChem CID 103836911) has the molecular formula C8H13F2N3O3S and a molecular weight of 269.27 g/mol. Its IUPAC name is N-(3,3-difluoro-2-hydroxypropyl)-1-ethylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-(3,3-difluoro-2-hydroxypropyl)-1-ethylimidazole-4-sulfonamide
PubChem CID103836911
Molecular FormulaC8H13F2N3O3S
Molecular Weight269.27 g/mol
Exact Mass269.06
IUPAC NameN-(3,3-difluoro-2-hydroxypropyl)-1-ethylimidazole-4-sulfonamide
SMILESCCn1cnc(S(=O)(=O)NCC(O)C(F)F)c1
InChIInChI=1S/C8H13F2N3O3S/c1-2-13-4-7(11-5-13)17(15,16)12-3-6(14)8(9)10/h4-6,8,12,14H,2-3H2,1H3
InChIKeyQLCOPRIUCOYOMI-UHFFFAOYSA-N
XLogP-0.19
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,3,3-Trifluoro-2-hydroxypropyl)imidazole-4-sulfonamide
CID 155187964
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
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-Methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]imidazole-4-sulfonamide
CID 81339990
1-(3,3,3-Trifluoropropyl)imidazole-4-sulfonamide
CID 81340266
2-Propan-2-yl-1-[2-(trifluoromethoxy)ethyl]imidazole-4-sulfonamide
CID 81340569
2-Methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazole-4-sulfonamide
CID 81340755
1-[2-(2,2,2-Trifluoroethoxy)ethyl]imidazole-4-sulfonamide
CID 81340845
1-[3-(2,2,2-Trifluoroethoxy)propyl]imidazole-4-sulfonamide
CID 81341122
1-[2-(Trifluoromethoxy)ethyl]imidazole-4-sulfonamide
CID 81341124

Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-1-ethylimidazole-4-sulfonamide?
The IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-1-ethylimidazole-4-sulfonamide (CID 103836911) is N-(3,3-difluoro-2-hydroxypropyl)-1-ethylimidazole-4-sulfonamide.
What is the SMILES notation for N-(3,3-difluoro-2-hydroxypropyl)-1-ethylimidazole-4-sulfonamide?
The canonical SMILES for N-(3,3-difluoro-2-hydroxypropyl)-1-ethylimidazole-4-sulfonamide is CCn1cnc(S(=O)(=O)NCC(O)C(F)F)c1.
What is the InChIKey of N-(3,3-difluoro-2-hydroxypropyl)-1-ethylimidazole-4-sulfonamide?
The InChIKey is QLCOPRIUCOYOMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2N3O3S/c1-2-13-4-7(11-5-13)17(15,16)12-3-6(14)8(9)10/h4-6,8,12,14H,2-3H2,1H3.
What are the key properties of N-(3,3-difluoro-2-hydroxypropyl)-1-ethylimidazole-4-sulfonamide?
N-(3,3-difluoro-2-hydroxypropyl)-1-ethylimidazole-4-sulfonamide has a molecular weight of 269.27 g/mol, XLogP of -0.19, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluoro-2-hydroxypropyl)-1-ethylimidazole-4-sulfonamide is sourced from PubChem (CID 103836911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).