3-amino-N-[2-(2,2-difluoroethoxy)ethyl]pyridine-2-sulfonamide

C9H13F2N3O3S — CID 114129366

IUPAC3-amino-N-[2-(2,2-difluoroethoxy)ethyl]pyridine-2-sulfonamide
SMILESNc1cccnc1S(=O)(=O)NCCOCC(F)F
InChIInChI=1S/C9H13F2N3O3S/c10-8(11)6-17-5-4-14-18(15,16)9-7(12)2-1-3-13-9/h1-3,8,14H,4-6,12H2
InChIKeyWQWBLYGEIIZKQQ-UHFFFAOYSA-N
MW281.28 g/mol
LogP0.22
Rot. Bonds7

About 3-amino-N-[2-(2,2-difluoroethoxy)ethyl]pyridine-2-sulfonamide

3-amino-N-[2-(2,2-difluoroethoxy)ethyl]pyridine-2-sulfonamide (PubChem CID 114129366) has the molecular formula C9H13F2N3O3S and a molecular weight of 281.28 g/mol. Its IUPAC name is 3-amino-N-[2-(2,2-difluoroethoxy)ethyl]pyridine-2-sulfonamide.

Molecular Properties

Compound Name3-amino-N-[2-(2,2-difluoroethoxy)ethyl]pyridine-2-sulfonamide
PubChem CID114129366
Molecular FormulaC9H13F2N3O3S
Molecular Weight281.28 g/mol
Exact Mass281.06
IUPAC Name3-amino-N-[2-(2,2-difluoroethoxy)ethyl]pyridine-2-sulfonamide
SMILESNc1cccnc1S(=O)(=O)NCCOCC(F)F
InChIInChI=1S/C9H13F2N3O3S/c10-8(11)6-17-5-4-14-18(15,16)9-7(12)2-1-3-13-9/h1-3,8,14H,4-6,12H2
InChIKeyWQWBLYGEIIZKQQ-UHFFFAOYSA-N
XLogP0.22
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-[2-(3-methylbutoxy)ethyl]pyridine-2-sulfonamide
CID 103305551
3-amino-N-(2-methoxyethyl)pyridine-2-sulfonamide
CID 103303676
3-amino-N-(4-methoxybutyl)pyridine-2-sulfonamide
CID 103305180
3-amino-N-(2-cyclohexyloxyethyl)pyridine-2-sulfonamide
CID 103306082
N-(2-ethoxyethyl)-3-fluoropyridine-2-sulfonamide
CID 103299268
3-amino-N-decylpyridine-2-sulfonamide
CID 103306537
3-amino-N-[2-(ethylsulfamoyl)ethyl]pyridine-2-sulfonamide
CID 106342302
3-[(3-amino-2-pyridinyl)sulfonylamino]-N-(2-methoxyethyl)propanamide
CID 103307140
3-amino-N-(cyclobutylmethyl)pyridine-2-sulfonamide
CID 103304498
3-amino-N-[2-(2-methylphenyl)ethyl]pyridine-2-sulfonamide
CID 103306499
N-[2-[2-(dimethylamino)ethoxy]ethyl]-3-fluoropyridine-2-sulfonamide
CID 114127258
N-(2,2-difluoroethyl)-3-hydrazinylpyridine-2-sulfonamide
CID 103301882

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(2,2-difluoroethoxy)ethyl]pyridine-2-sulfonamide?
The IUPAC name of 3-amino-N-[2-(2,2-difluoroethoxy)ethyl]pyridine-2-sulfonamide (CID 114129366) is 3-amino-N-[2-(2,2-difluoroethoxy)ethyl]pyridine-2-sulfonamide.
What is the SMILES notation for 3-amino-N-[2-(2,2-difluoroethoxy)ethyl]pyridine-2-sulfonamide?
The canonical SMILES for 3-amino-N-[2-(2,2-difluoroethoxy)ethyl]pyridine-2-sulfonamide is Nc1cccnc1S(=O)(=O)NCCOCC(F)F.
What is the InChIKey of 3-amino-N-[2-(2,2-difluoroethoxy)ethyl]pyridine-2-sulfonamide?
The InChIKey is WQWBLYGEIIZKQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2N3O3S/c10-8(11)6-17-5-4-14-18(15,16)9-7(12)2-1-3-13-9/h1-3,8,14H,4-6,12H2.
What are the key properties of 3-amino-N-[2-(2,2-difluoroethoxy)ethyl]pyridine-2-sulfonamide?
3-amino-N-[2-(2,2-difluoroethoxy)ethyl]pyridine-2-sulfonamide has a molecular weight of 281.28 g/mol, XLogP of 0.22, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(2,2-difluoroethoxy)ethyl]pyridine-2-sulfonamide is sourced from PubChem (CID 114129366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).