N-(2,2-difluoro-3-hydroxypropyl)-2-ethyl-1H-imidazole-5-sulfonamide

C8H13F2N3O3S — CID 114153415

IUPACN-(2,2-difluoro-3-hydroxypropyl)-2-ethyl-1H-imidazole-5-sulfonamide
SMILESCCc1ncc(S(=O)(=O)NCC(F)(F)CO)[nH]1
InChIInChI=1S/C8H13F2N3O3S/c1-2-6-11-3-7(13-6)17(15,16)12-4-8(9,10)5-14/h3,12,14H,2,4-5H2,1H3,(H,11,13)
InChIKeyVASQLWAGLSZQFH-UHFFFAOYSA-N
MW269.27 g/mol
LogP-0.12
Rot. Bonds6

About N-(2,2-difluoro-3-hydroxypropyl)-2-ethyl-1H-imidazole-5-sulfonamide

N-(2,2-difluoro-3-hydroxypropyl)-2-ethyl-1H-imidazole-5-sulfonamide (PubChem CID 114153415) has the molecular formula C8H13F2N3O3S and a molecular weight of 269.27 g/mol. Its IUPAC name is N-(2,2-difluoro-3-hydroxypropyl)-2-ethyl-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound NameN-(2,2-difluoro-3-hydroxypropyl)-2-ethyl-1H-imidazole-5-sulfonamide
PubChem CID114153415
Molecular FormulaC8H13F2N3O3S
Molecular Weight269.27 g/mol
Exact Mass269.06
IUPAC NameN-(2,2-difluoro-3-hydroxypropyl)-2-ethyl-1H-imidazole-5-sulfonamide
SMILESCCc1ncc(S(=O)(=O)NCC(F)(F)CO)[nH]1
InChIInChI=1S/C8H13F2N3O3S/c1-2-6-11-3-7(13-6)17(15,16)12-4-8(9,10)5-14/h3,12,14H,2,4-5H2,1H3,(H,11,13)
InChIKeyVASQLWAGLSZQFH-UHFFFAOYSA-N
XLogP-0.12
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 5-0.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-2-ethyl-1H-imidazole-5-sulfonamide?
The IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-2-ethyl-1H-imidazole-5-sulfonamide (CID 114153415) is N-(2,2-difluoro-3-hydroxypropyl)-2-ethyl-1H-imidazole-5-sulfonamide.
What is the SMILES notation for N-(2,2-difluoro-3-hydroxypropyl)-2-ethyl-1H-imidazole-5-sulfonamide?
The canonical SMILES for N-(2,2-difluoro-3-hydroxypropyl)-2-ethyl-1H-imidazole-5-sulfonamide is CCc1ncc(S(=O)(=O)NCC(F)(F)CO)[nH]1.
What is the InChIKey of N-(2,2-difluoro-3-hydroxypropyl)-2-ethyl-1H-imidazole-5-sulfonamide?
The InChIKey is VASQLWAGLSZQFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2N3O3S/c1-2-6-11-3-7(13-6)17(15,16)12-4-8(9,10)5-14/h3,12,14H,2,4-5H2,1H3,(H,11,13).
What are the key properties of N-(2,2-difluoro-3-hydroxypropyl)-2-ethyl-1H-imidazole-5-sulfonamide?
N-(2,2-difluoro-3-hydroxypropyl)-2-ethyl-1H-imidazole-5-sulfonamide has a molecular weight of 269.27 g/mol, XLogP of -0.12, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-3-hydroxypropyl)-2-ethyl-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 114153415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).