5-chloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-methylimidazole-4-sulfonamide

C8H12ClF2N3O3S — CID 107479239

IUPAC5-chloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)N(CCO)CC(F)F)c1Cl
InChIInChI=1S/C8H12ClF2N3O3S/c1-13-5-12-8(7(13)9)18(16,17)14(2-3-15)4-6(10)11/h5-6,15H,2-4H2,1H3
InChIKeyDZWVSPSDEQRHCW-UHFFFAOYSA-N
MW303.72 g/mol
LogP0.32
Rot. Bonds6

About 5-chloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-methylimidazole-4-sulfonamide

5-chloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-methylimidazole-4-sulfonamide (PubChem CID 107479239) has the molecular formula C8H12ClF2N3O3S and a molecular weight of 303.72 g/mol. Its IUPAC name is 5-chloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-methylimidazole-4-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-methylimidazole-4-sulfonamide
PubChem CID107479239
Molecular FormulaC8H12ClF2N3O3S
Molecular Weight303.72 g/mol
Exact Mass303.03
IUPAC Name5-chloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)N(CCO)CC(F)F)c1Cl
InChIInChI=1S/C8H12ClF2N3O3S/c1-13-5-12-8(7(13)9)18(16,17)14(2-3-15)4-6(10)11/h5-6,15H,2-4H2,1H3
InChIKeyDZWVSPSDEQRHCW-UHFFFAOYSA-N
XLogP0.32
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.72
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(5-Chloro-1-methylimidazol-4-yl)sulfonylmorpholine
CID 35290915
5-chloro-N-(2-cyanoethyl)-N-(2-methoxyethyl)-1-methylimidazole-4-sulfonamide
CID 53609279
5-chloro-1-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide
CID 43456006
5-chloro-1-methyl-N-prop-2-ynyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide
CID 45833327
5-chloro-N-ethyl-1-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide
CID 54942044
5-chloro-1-methyl-N-propyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide
CID 54979866
5-chloro-N-cyclopropyl-1-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide
CID 54983810
5-chloro-1-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide
CID 60527042
1-(5-Chloro-1-methylimidazol-4-yl)sulfonyl-4-(2,2,2-trifluoroethyl)piperazine
CID 60746134
5-chloro-1-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide
CID 61045589
N-butyl-5-chloro-1-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide
CID 61046128
5-chloro-N-(2-hydroxyethyl)-1-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide
CID 61046480

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-methylimidazole-4-sulfonamide?
The IUPAC name of 5-chloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-methylimidazole-4-sulfonamide (CID 107479239) is 5-chloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-methylimidazole-4-sulfonamide.
What is the SMILES notation for 5-chloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-methylimidazole-4-sulfonamide?
The canonical SMILES for 5-chloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-methylimidazole-4-sulfonamide is Cn1cnc(S(=O)(=O)N(CCO)CC(F)F)c1Cl.
What is the InChIKey of 5-chloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-methylimidazole-4-sulfonamide?
The InChIKey is DZWVSPSDEQRHCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClF2N3O3S/c1-13-5-12-8(7(13)9)18(16,17)14(2-3-15)4-6(10)11/h5-6,15H,2-4H2,1H3.
What are the key properties of 5-chloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-methylimidazole-4-sulfonamide?
5-chloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-methylimidazole-4-sulfonamide has a molecular weight of 303.72 g/mol, XLogP of 0.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-methylimidazole-4-sulfonamide is sourced from PubChem (CID 107479239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).