N-(2,2-difluoroethyl)-2-(methylamino)quinoline-6-sulfonamide

C12H13F2N3O2S — CID 115408548

IUPACN-(2,2-difluoroethyl)-2-(methylamino)quinoline-6-sulfonamide
SMILESCNc1ccc2cc(S(=O)(=O)NCC(F)F)ccc2n1
InChIInChI=1S/C12H13F2N3O2S/c1-15-12-5-2-8-6-9(3-4-10(8)17-12)20(18,19)16-7-11(13)14/h2-6,11,16H,7H2,1H3,(H,15,17)
InChIKeyFJJBRGJXGGOCFH-UHFFFAOYSA-N
MW301.32 g/mol
LogP1.82
Rot. Bonds5

About N-(2,2-difluoroethyl)-2-(methylamino)quinoline-6-sulfonamide

N-(2,2-difluoroethyl)-2-(methylamino)quinoline-6-sulfonamide (PubChem CID 115408548) has the molecular formula C12H13F2N3O2S and a molecular weight of 301.32 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-2-(methylamino)quinoline-6-sulfonamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-2-(methylamino)quinoline-6-sulfonamide
PubChem CID115408548
Molecular FormulaC12H13F2N3O2S
Molecular Weight301.32 g/mol
Exact Mass301.07
IUPAC NameN-(2,2-difluoroethyl)-2-(methylamino)quinoline-6-sulfonamide
SMILESCNc1ccc2cc(S(=O)(=O)NCC(F)F)ccc2n1
InChIInChI=1S/C12H13F2N3O2S/c1-15-12-5-2-8-6-9(3-4-10(8)17-12)20(18,19)16-7-11(13)14/h2-6,11,16H,7H2,1H3,(H,15,17)
InChIKeyFJJBRGJXGGOCFH-UHFFFAOYSA-N
XLogP1.82
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(methylamino)-N-(3-methylbutan-2-yl)quinoline-6-sulfonamide
CID 62143741
N-(1-methoxypropan-2-yl)-2-(methylamino)quinoline-6-sulfonamide
CID 62163537
N-ethyl-2-(methylamino)-N-propan-2-ylquinoline-6-sulfonamide
CID 62145303
2-chloro-N-(2,3-dimethylbutyl)quinoline-6-sulfonamide
CID 64570321
2-[(2-hydrazinylquinolin-6-yl)sulfonylamino]-N-methylacetamide
CID 43566345
2-amino-N-(2-methoxypropyl)quinoline-6-sulfonamide
CID 102700466
N-methyl-2-(methylamino)-N-(2-methylsulfanylethyl)quinoline-6-sulfonamide
CID 115987134
N-(3,3-difluoro-2-hydroxypropyl)naphthalene-2-sulfonamide
CID 103836737
2-amino-N-(3-methylbutyl)quinoline-6-sulfonamide
CID 62149054
N-cyclobutyl-2-(ethylamino)quinoline-6-sulfonamide
CID 62415031
2-hydrazinyl-N-pentan-2-ylquinoline-6-sulfonamide
CID 43456648
3-amino-4-chloro-N-(2,2-difluoroethyl)benzenesulfonamide
CID 115405354

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-2-(methylamino)quinoline-6-sulfonamide?
The IUPAC name of N-(2,2-difluoroethyl)-2-(methylamino)quinoline-6-sulfonamide (CID 115408548) is N-(2,2-difluoroethyl)-2-(methylamino)quinoline-6-sulfonamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-2-(methylamino)quinoline-6-sulfonamide?
The canonical SMILES for N-(2,2-difluoroethyl)-2-(methylamino)quinoline-6-sulfonamide is CNc1ccc2cc(S(=O)(=O)NCC(F)F)ccc2n1.
What is the InChIKey of N-(2,2-difluoroethyl)-2-(methylamino)quinoline-6-sulfonamide?
The InChIKey is FJJBRGJXGGOCFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2N3O2S/c1-15-12-5-2-8-6-9(3-4-10(8)17-12)20(18,19)16-7-11(13)14/h2-6,11,16H,7H2,1H3,(H,15,17).
What are the key properties of N-(2,2-difluoroethyl)-2-(methylamino)quinoline-6-sulfonamide?
N-(2,2-difluoroethyl)-2-(methylamino)quinoline-6-sulfonamide has a molecular weight of 301.32 g/mol, XLogP of 1.82, 5 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-(methylamino)quinoline-6-sulfonamide is sourced from PubChem (CID 115408548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).