5-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-methylimidazole-4-sulfonamide

C8H14F2N4O3S — CID 107478048

IUPAC5-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-methylimidazole-4-sulfonamide
SMILESCn1cnc(N)c1S(=O)(=O)N(CCO)CC(F)F
InChIInChI=1S/C8H14F2N4O3S/c1-13-5-12-7(11)8(13)18(16,17)14(2-3-15)4-6(9)10/h5-6,15H,2-4,11H2,1H3
InChIKeyAMDDZSSKIJVLAE-UHFFFAOYSA-N
MW284.29 g/mol
LogP-0.75
Rot. Bonds6

About 5-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-methylimidazole-4-sulfonamide

5-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-methylimidazole-4-sulfonamide (PubChem CID 107478048) has the molecular formula C8H14F2N4O3S and a molecular weight of 284.29 g/mol. Its IUPAC name is 5-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-methylimidazole-4-sulfonamide.

Molecular Properties

Compound Name5-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-methylimidazole-4-sulfonamide
PubChem CID107478048
Molecular FormulaC8H14F2N4O3S
Molecular Weight284.29 g/mol
Exact Mass284.08
IUPAC Name5-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-methylimidazole-4-sulfonamide
SMILESCn1cnc(N)c1S(=O)(=O)N(CCO)CC(F)F
InChIInChI=1S/C8H14F2N4O3S/c1-13-5-12-7(11)8(13)18(16,17)14(2-3-15)4-6(9)10/h5-6,15H,2-4,11H2,1H3
InChIKeyAMDDZSSKIJVLAE-UHFFFAOYSA-N
XLogP-0.75
TPSA101.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 5-0.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-methylimidazole-4-sulfonamide?
The IUPAC name of 5-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-methylimidazole-4-sulfonamide (CID 107478048) is 5-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-methylimidazole-4-sulfonamide.
What is the SMILES notation for 5-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-methylimidazole-4-sulfonamide?
The canonical SMILES for 5-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-methylimidazole-4-sulfonamide is Cn1cnc(N)c1S(=O)(=O)N(CCO)CC(F)F.
What is the InChIKey of 5-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-methylimidazole-4-sulfonamide?
The InChIKey is AMDDZSSKIJVLAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2N4O3S/c1-13-5-12-7(11)8(13)18(16,17)14(2-3-15)4-6(9)10/h5-6,15H,2-4,11H2,1H3.
What are the key properties of 5-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-methylimidazole-4-sulfonamide?
5-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-methylimidazole-4-sulfonamide has a molecular weight of 284.29 g/mol, XLogP of -0.75, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-methylimidazole-4-sulfonamide is sourced from PubChem (CID 107478048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).