6-[(2,2-difluoro-3-hydroxypropyl)amino]-N,N-dimethylpyridine-3-sulfonamide

C10H15F2N3O3S — CID 104858571

IUPAC6-[(2,2-difluoro-3-hydroxypropyl)amino]-N,N-dimethylpyridine-3-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(NCC(F)(F)CO)nc1
InChIInChI=1S/C10H15F2N3O3S/c1-15(2)19(17,18)8-3-4-9(13-5-8)14-6-10(11,12)7-16/h3-5,16H,6-7H2,1-2H3,(H,13,14)
InChIKeyDGLLZXLTRJETBW-UHFFFAOYSA-N
MW295.31 g/mol
LogP0.37
Rot. Bonds6

About 6-[(2,2-difluoro-3-hydroxypropyl)amino]-N,N-dimethylpyridine-3-sulfonamide

6-[(2,2-difluoro-3-hydroxypropyl)amino]-N,N-dimethylpyridine-3-sulfonamide (PubChem CID 104858571) has the molecular formula C10H15F2N3O3S and a molecular weight of 295.31 g/mol. Its IUPAC name is 6-[(2,2-difluoro-3-hydroxypropyl)amino]-N,N-dimethylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-[(2,2-difluoro-3-hydroxypropyl)amino]-N,N-dimethylpyridine-3-sulfonamide
PubChem CID104858571
Molecular FormulaC10H15F2N3O3S
Molecular Weight295.31 g/mol
Exact Mass295.08
IUPAC Name6-[(2,2-difluoro-3-hydroxypropyl)amino]-N,N-dimethylpyridine-3-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(NCC(F)(F)CO)nc1
InChIInChI=1S/C10H15F2N3O3S/c1-15(2)19(17,18)8-3-4-9(13-5-8)14-6-10(11,12)7-16/h3-5,16H,6-7H2,1-2H3,(H,13,14)
InChIKeyDGLLZXLTRJETBW-UHFFFAOYSA-N
XLogP0.37
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(2,2-difluoro-3-hydroxypropyl)amino]-N,N-dimethylpyridine-3-sulfonamide?
The IUPAC name of 6-[(2,2-difluoro-3-hydroxypropyl)amino]-N,N-dimethylpyridine-3-sulfonamide (CID 104858571) is 6-[(2,2-difluoro-3-hydroxypropyl)amino]-N,N-dimethylpyridine-3-sulfonamide.
What is the SMILES notation for 6-[(2,2-difluoro-3-hydroxypropyl)amino]-N,N-dimethylpyridine-3-sulfonamide?
The canonical SMILES for 6-[(2,2-difluoro-3-hydroxypropyl)amino]-N,N-dimethylpyridine-3-sulfonamide is CN(C)S(=O)(=O)c1ccc(NCC(F)(F)CO)nc1.
What is the InChIKey of 6-[(2,2-difluoro-3-hydroxypropyl)amino]-N,N-dimethylpyridine-3-sulfonamide?
The InChIKey is DGLLZXLTRJETBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2N3O3S/c1-15(2)19(17,18)8-3-4-9(13-5-8)14-6-10(11,12)7-16/h3-5,16H,6-7H2,1-2H3,(H,13,14).
What are the key properties of 6-[(2,2-difluoro-3-hydroxypropyl)amino]-N,N-dimethylpyridine-3-sulfonamide?
6-[(2,2-difluoro-3-hydroxypropyl)amino]-N,N-dimethylpyridine-3-sulfonamide has a molecular weight of 295.31 g/mol, XLogP of 0.37, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,2-difluoro-3-hydroxypropyl)amino]-N,N-dimethylpyridine-3-sulfonamide is sourced from PubChem (CID 104858571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).