N-(2-hydroxyethyl)-2-methyl-1-propyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide

C11H18F3N3O3S — CID 107483740

IUPACN-(2-hydroxyethyl)-2-methyl-1-propyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)N(CCO)CC(F)(F)F)nc1C
InChIInChI=1S/C11H18F3N3O3S/c1-3-4-16-7-10(15-9(16)2)21(19,20)17(5-6-18)8-11(12,13)14/h7,18H,3-6,8H2,1-2H3
InChIKeyJBLNVDXDZFBGHX-UHFFFAOYSA-N
MW329.34 g/mol
LogP1.15
Rot. Bonds7

About N-(2-hydroxyethyl)-2-methyl-1-propyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide

N-(2-hydroxyethyl)-2-methyl-1-propyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide (PubChem CID 107483740) has the molecular formula C11H18F3N3O3S and a molecular weight of 329.34 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-methyl-1-propyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-methyl-1-propyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide
PubChem CID107483740
Molecular FormulaC11H18F3N3O3S
Molecular Weight329.34 g/mol
Exact Mass329.10
IUPAC NameN-(2-hydroxyethyl)-2-methyl-1-propyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)N(CCO)CC(F)(F)F)nc1C
InChIInChI=1S/C11H18F3N3O3S/c1-3-4-16-7-10(15-9(16)2)21(19,20)17(5-6-18)8-11(12,13)14/h7,18H,3-6,8H2,1-2H3
InChIKeyJBLNVDXDZFBGHX-UHFFFAOYSA-N
XLogP1.15
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.34
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-Hydroxyethyl)-2,3-dimethylimidazolium bis(trifluoromethanesulfonyl)amide
CID 131742277
1-butan-2-yl-N-prop-2-ynyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide
CID 71851193
Bis(trifluoromethylsulfonyl)azanide;2-(3-butylimidazol-3-ium-1-yl)ethanol
CID 140608903
1-(3,3,3-Trifluoro-2-hydroxypropyl)imidazole-4-sulfonamide
CID 155187964
2-(3-Butylimidazol-3-ium-1-yl)ethanol;trifluoromethanesulfonate
CID 159291926
2-(3-ethyl-2-methylimidazol-1-ium-1-yl)ethanol;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 161859808
1-[1,3-Bis(2-hydroxyethyl)imidazol-1-ium-2-yl]ethanol;trifluoromethanesulfonate
CID 175401122
4-(1,2-Dimethyl-1H-imidazole-4-sulfonyl)morpholine
CID 62492168
1-[3-(2,2,2-Trifluoroethoxy)propyl]imidazole-4-sulfonyl chloride
CID 64145557
1-[2-(2,2,2-Trifluoroethoxy)ethyl]imidazole-4-sulfonyl chloride
CID 64145715
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

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-methyl-1-propyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide?
The IUPAC name of N-(2-hydroxyethyl)-2-methyl-1-propyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide (CID 107483740) is N-(2-hydroxyethyl)-2-methyl-1-propyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-methyl-1-propyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-methyl-1-propyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide is CCCn1cc(S(=O)(=O)N(CCO)CC(F)(F)F)nc1C.
What is the InChIKey of N-(2-hydroxyethyl)-2-methyl-1-propyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide?
The InChIKey is JBLNVDXDZFBGHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3O3S/c1-3-4-16-7-10(15-9(16)2)21(19,20)17(5-6-18)8-11(12,13)14/h7,18H,3-6,8H2,1-2H3.
What are the key properties of N-(2-hydroxyethyl)-2-methyl-1-propyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide?
N-(2-hydroxyethyl)-2-methyl-1-propyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide has a molecular weight of 329.34 g/mol, XLogP of 1.15, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-methyl-1-propyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide is sourced from PubChem (CID 107483740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).