N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-methyl-1-propylimidazole-4-sulfonamide

C11H19F2N3O3S — CID 107483566

IUPACN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-methyl-1-propylimidazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)N(CCO)CC(F)F)nc1C
InChIInChI=1S/C11H19F2N3O3S/c1-3-4-15-8-11(14-9(15)2)20(18,19)16(5-6-17)7-10(12)13/h8,10,17H,3-7H2,1-2H3
InChIKeyRAEAKBRCIOIASW-UHFFFAOYSA-N
MW311.35 g/mol
LogP0.85
Rot. Bonds8

About N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-methyl-1-propylimidazole-4-sulfonamide

N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-methyl-1-propylimidazole-4-sulfonamide (PubChem CID 107483566) has the molecular formula C11H19F2N3O3S and a molecular weight of 311.35 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-methyl-1-propylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-methyl-1-propylimidazole-4-sulfonamide
PubChem CID107483566
Molecular FormulaC11H19F2N3O3S
Molecular Weight311.35 g/mol
Exact Mass311.11
IUPAC NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-methyl-1-propylimidazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)N(CCO)CC(F)F)nc1C
InChIInChI=1S/C11H19F2N3O3S/c1-3-4-15-8-11(14-9(15)2)20(18,19)16(5-6-17)7-10(12)13/h8,10,17H,3-7H2,1-2H3
InChIKeyRAEAKBRCIOIASW-UHFFFAOYSA-N
XLogP0.85
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-methyl-1-propylimidazole-4-sulfonamide?
The IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-methyl-1-propylimidazole-4-sulfonamide (CID 107483566) is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-methyl-1-propylimidazole-4-sulfonamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-methyl-1-propylimidazole-4-sulfonamide?
The canonical SMILES for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-methyl-1-propylimidazole-4-sulfonamide is CCCn1cc(S(=O)(=O)N(CCO)CC(F)F)nc1C.
What is the InChIKey of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-methyl-1-propylimidazole-4-sulfonamide?
The InChIKey is RAEAKBRCIOIASW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2N3O3S/c1-3-4-15-8-11(14-9(15)2)20(18,19)16(5-6-17)7-10(12)13/h8,10,17H,3-7H2,1-2H3.
What are the key properties of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-methyl-1-propylimidazole-4-sulfonamide?
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-methyl-1-propylimidazole-4-sulfonamide has a molecular weight of 311.35 g/mol, XLogP of 0.85, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-methyl-1-propylimidazole-4-sulfonamide is sourced from PubChem (CID 107483566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).