N-(3,3-difluoro-2-hydroxypropyl)-1-ethyl-2-methylimidazole-4-sulfonamide

C9H15F2N3O3S — CID 103880464

IUPACN-(3,3-difluoro-2-hydroxypropyl)-1-ethyl-2-methylimidazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NCC(O)C(F)F)nc1C
InChIInChI=1S/C9H15F2N3O3S/c1-3-14-5-8(13-6(14)2)18(16,17)12-4-7(15)9(10)11/h5,7,9,12,15H,3-4H2,1-2H3
InChIKeyCHJKBXQUDLOZSG-UHFFFAOYSA-N
MW283.30 g/mol
LogP0.12
Rot. Bonds6

About N-(3,3-difluoro-2-hydroxypropyl)-1-ethyl-2-methylimidazole-4-sulfonamide

N-(3,3-difluoro-2-hydroxypropyl)-1-ethyl-2-methylimidazole-4-sulfonamide (PubChem CID 103880464) has the molecular formula C9H15F2N3O3S and a molecular weight of 283.30 g/mol. Its IUPAC name is N-(3,3-difluoro-2-hydroxypropyl)-1-ethyl-2-methylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-(3,3-difluoro-2-hydroxypropyl)-1-ethyl-2-methylimidazole-4-sulfonamide
PubChem CID103880464
Molecular FormulaC9H15F2N3O3S
Molecular Weight283.30 g/mol
Exact Mass283.08
IUPAC NameN-(3,3-difluoro-2-hydroxypropyl)-1-ethyl-2-methylimidazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NCC(O)C(F)F)nc1C
InChIInChI=1S/C9H15F2N3O3S/c1-3-14-5-8(13-6(14)2)18(16,17)12-4-7(15)9(10)11/h5,7,9,12,15H,3-4H2,1-2H3
InChIKeyCHJKBXQUDLOZSG-UHFFFAOYSA-N
XLogP0.12
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-1-ethyl-2-methylimidazole-4-sulfonamide?
The IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-1-ethyl-2-methylimidazole-4-sulfonamide (CID 103880464) is N-(3,3-difluoro-2-hydroxypropyl)-1-ethyl-2-methylimidazole-4-sulfonamide.
What is the SMILES notation for N-(3,3-difluoro-2-hydroxypropyl)-1-ethyl-2-methylimidazole-4-sulfonamide?
The canonical SMILES for N-(3,3-difluoro-2-hydroxypropyl)-1-ethyl-2-methylimidazole-4-sulfonamide is CCn1cc(S(=O)(=O)NCC(O)C(F)F)nc1C.
What is the InChIKey of N-(3,3-difluoro-2-hydroxypropyl)-1-ethyl-2-methylimidazole-4-sulfonamide?
The InChIKey is CHJKBXQUDLOZSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2N3O3S/c1-3-14-5-8(13-6(14)2)18(16,17)12-4-7(15)9(10)11/h5,7,9,12,15H,3-4H2,1-2H3.
What are the key properties of N-(3,3-difluoro-2-hydroxypropyl)-1-ethyl-2-methylimidazole-4-sulfonamide?
N-(3,3-difluoro-2-hydroxypropyl)-1-ethyl-2-methylimidazole-4-sulfonamide has a molecular weight of 283.30 g/mol, XLogP of 0.12, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluoro-2-hydroxypropyl)-1-ethyl-2-methylimidazole-4-sulfonamide is sourced from PubChem (CID 103880464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).