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

C8H11ClF3N3O3S — CID 61046480

IUPAC5-chloro-N-(2-hydroxyethyl)-1-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)N(CCO)CC(F)(F)F)c1Cl
InChIInChI=1S/C8H11ClF3N3O3S/c1-14-5-13-7(6(14)9)19(17,18)15(2-3-16)4-8(10,11)12/h5,16H,2-4H2,1H3
InChIKeyYOYUYOZKEQCSHU-UHFFFAOYSA-N
MW321.71 g/mol
LogP0.62
Rot. Bonds5

About 5-chloro-N-(2-hydroxyethyl)-1-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide

5-chloro-N-(2-hydroxyethyl)-1-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide (PubChem CID 61046480) has the molecular formula C8H11ClF3N3O3S and a molecular weight of 321.71 g/mol. Its IUPAC name is 5-chloro-N-(2-hydroxyethyl)-1-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-(2-hydroxyethyl)-1-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide
PubChem CID61046480
Molecular FormulaC8H11ClF3N3O3S
Molecular Weight321.71 g/mol
Exact Mass321.02
IUPAC Name5-chloro-N-(2-hydroxyethyl)-1-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)N(CCO)CC(F)(F)F)c1Cl
InChIInChI=1S/C8H11ClF3N3O3S/c1-14-5-13-7(6(14)9)19(17,18)15(2-3-16)4-8(10,11)12/h5,16H,2-4H2,1H3
InChIKeyYOYUYOZKEQCSHU-UHFFFAOYSA-N
XLogP0.62
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.71
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-(2-hydroxyethyl)-1-methyl-N-propan-2-ylimidazole-4-sulfonamide
CID 61053391
5-amino-N-(2-hydroxyethyl)-3-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide
CID 63980416
5-chloro-1-methyl-N,N-dipentylimidazole-4-sulfonamide
CID 61047067
1-ethyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide
CID 107483772
5-chloro-N-(2-hydroxy-2-methylpropyl)-N,1-dimethylimidazole-4-sulfonamide
CID 79390045
5-chloro-N-ethyl-N,1-dimethylimidazole-4-sulfonamide
CID 43456033
5-chloro-N-(2-methoxyethyl)-N-(3-methoxypropyl)-1-methylimidazole-4-sulfonamide
CID 61041408
methyl 2-[(5-chloro-1-methylimidazol-4-yl)sulfonyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 62957497
2-chloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide
CID 61046479
ethyl 2-[(5-chloro-1-methylimidazol-4-yl)sulfonyl-ethylamino]acetate
CID 54978459
N-(2-hydroxyethyl)-3-(methylamino)-N-(2,2,2-trifluoroethyl)pyridine-2-sulfonamide
CID 107485963
5-chloro-1-methyl-N-(2-methylpropyl)-N-propan-2-ylimidazole-4-sulfonamide
CID 51892253

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-hydroxyethyl)-1-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide?
The IUPAC name of 5-chloro-N-(2-hydroxyethyl)-1-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide (CID 61046480) is 5-chloro-N-(2-hydroxyethyl)-1-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide.
What is the SMILES notation for 5-chloro-N-(2-hydroxyethyl)-1-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide?
The canonical SMILES for 5-chloro-N-(2-hydroxyethyl)-1-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide is Cn1cnc(S(=O)(=O)N(CCO)CC(F)(F)F)c1Cl.
What is the InChIKey of 5-chloro-N-(2-hydroxyethyl)-1-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide?
The InChIKey is YOYUYOZKEQCSHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClF3N3O3S/c1-14-5-13-7(6(14)9)19(17,18)15(2-3-16)4-8(10,11)12/h5,16H,2-4H2,1H3.
What are the key properties of 5-chloro-N-(2-hydroxyethyl)-1-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide?
5-chloro-N-(2-hydroxyethyl)-1-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide has a molecular weight of 321.71 g/mol, XLogP of 0.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-hydroxyethyl)-1-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide is sourced from PubChem (CID 61046480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).