N-(2,2-difluoroethyl)-2-ethyl-N-(2-hydroxyethyl)-1H-imidazole-5-sulfonamide

C9H15F2N3O3S — CID 107482254

IUPACN-(2,2-difluoroethyl)-2-ethyl-N-(2-hydroxyethyl)-1H-imidazole-5-sulfonamide
SMILESCCc1ncc(S(=O)(=O)N(CCO)CC(F)F)[nH]1
InChIInChI=1S/C9H15F2N3O3S/c1-2-8-12-5-9(13-8)18(16,17)14(3-4-15)6-7(10)11/h5,7,15H,2-4,6H2,1H3,(H,12,13)
InChIKeyZAJUTDODBMNIGP-UHFFFAOYSA-N
MW283.30 g/mol
LogP0.22
Rot. Bonds7

About N-(2,2-difluoroethyl)-2-ethyl-N-(2-hydroxyethyl)-1H-imidazole-5-sulfonamide

N-(2,2-difluoroethyl)-2-ethyl-N-(2-hydroxyethyl)-1H-imidazole-5-sulfonamide (PubChem CID 107482254) has the molecular formula C9H15F2N3O3S and a molecular weight of 283.30 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-2-ethyl-N-(2-hydroxyethyl)-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-2-ethyl-N-(2-hydroxyethyl)-1H-imidazole-5-sulfonamide
PubChem CID107482254
Molecular FormulaC9H15F2N3O3S
Molecular Weight283.30 g/mol
Exact Mass283.08
IUPAC NameN-(2,2-difluoroethyl)-2-ethyl-N-(2-hydroxyethyl)-1H-imidazole-5-sulfonamide
SMILESCCc1ncc(S(=O)(=O)N(CCO)CC(F)F)[nH]1
InChIInChI=1S/C9H15F2N3O3S/c1-2-8-12-5-9(13-8)18(16,17)14(3-4-15)6-7(10)11/h5,7,15H,2-4,6H2,1H3,(H,12,13)
InChIKeyZAJUTDODBMNIGP-UHFFFAOYSA-N
XLogP0.22
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-2-ethyl-N-(2-hydroxyethyl)-1H-imidazole-5-sulfonamide?
The IUPAC name of N-(2,2-difluoroethyl)-2-ethyl-N-(2-hydroxyethyl)-1H-imidazole-5-sulfonamide (CID 107482254) is N-(2,2-difluoroethyl)-2-ethyl-N-(2-hydroxyethyl)-1H-imidazole-5-sulfonamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-2-ethyl-N-(2-hydroxyethyl)-1H-imidazole-5-sulfonamide?
The canonical SMILES for N-(2,2-difluoroethyl)-2-ethyl-N-(2-hydroxyethyl)-1H-imidazole-5-sulfonamide is CCc1ncc(S(=O)(=O)N(CCO)CC(F)F)[nH]1.
What is the InChIKey of N-(2,2-difluoroethyl)-2-ethyl-N-(2-hydroxyethyl)-1H-imidazole-5-sulfonamide?
The InChIKey is ZAJUTDODBMNIGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2N3O3S/c1-2-8-12-5-9(13-8)18(16,17)14(3-4-15)6-7(10)11/h5,7,15H,2-4,6H2,1H3,(H,12,13).
What are the key properties of N-(2,2-difluoroethyl)-2-ethyl-N-(2-hydroxyethyl)-1H-imidazole-5-sulfonamide?
N-(2,2-difluoroethyl)-2-ethyl-N-(2-hydroxyethyl)-1H-imidazole-5-sulfonamide has a molecular weight of 283.30 g/mol, XLogP of 0.22, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-2-ethyl-N-(2-hydroxyethyl)-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 107482254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).