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

C9H13F2N3O3S — CID 114129365

IUPAC4-amino-N-[2-(2,2-difluoroethoxy)ethyl]pyridine-3-sulfonamide
SMILESNc1ccncc1S(=O)(=O)NCCOCC(F)F
InChIInChI=1S/C9H13F2N3O3S/c10-9(11)6-17-4-3-14-18(15,16)8-5-13-2-1-7(8)12/h1-2,5,9,14H,3-4,6H2,(H2,12,13)
InChIKeyNYMWSOJYEAQABJ-UHFFFAOYSA-N
MW281.28 g/mol
LogP0.22
Rot. Bonds7

About 4-amino-N-[2-(2,2-difluoroethoxy)ethyl]pyridine-3-sulfonamide

4-amino-N-[2-(2,2-difluoroethoxy)ethyl]pyridine-3-sulfonamide (PubChem CID 114129365) has the molecular formula C9H13F2N3O3S and a molecular weight of 281.28 g/mol. Its IUPAC name is 4-amino-N-[2-(2,2-difluoroethoxy)ethyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name4-amino-N-[2-(2,2-difluoroethoxy)ethyl]pyridine-3-sulfonamide
PubChem CID114129365
Molecular FormulaC9H13F2N3O3S
Molecular Weight281.28 g/mol
Exact Mass281.06
IUPAC Name4-amino-N-[2-(2,2-difluoroethoxy)ethyl]pyridine-3-sulfonamide
SMILESNc1ccncc1S(=O)(=O)NCCOCC(F)F
InChIInChI=1S/C9H13F2N3O3S/c10-9(11)6-17-4-3-14-18(15,16)8-5-13-2-1-7(8)12/h1-2,5,9,14H,3-4,6H2,(H2,12,13)
InChIKeyNYMWSOJYEAQABJ-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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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(2,2-difluoroethoxy)ethyl]pyridine-3-sulfonamide?
The IUPAC name of 4-amino-N-[2-(2,2-difluoroethoxy)ethyl]pyridine-3-sulfonamide (CID 114129365) is 4-amino-N-[2-(2,2-difluoroethoxy)ethyl]pyridine-3-sulfonamide.
What is the SMILES notation for 4-amino-N-[2-(2,2-difluoroethoxy)ethyl]pyridine-3-sulfonamide?
The canonical SMILES for 4-amino-N-[2-(2,2-difluoroethoxy)ethyl]pyridine-3-sulfonamide is Nc1ccncc1S(=O)(=O)NCCOCC(F)F.
What is the InChIKey of 4-amino-N-[2-(2,2-difluoroethoxy)ethyl]pyridine-3-sulfonamide?
The InChIKey is NYMWSOJYEAQABJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2N3O3S/c10-9(11)6-17-4-3-14-18(15,16)8-5-13-2-1-7(8)12/h1-2,5,9,14H,3-4,6H2,(H2,12,13).
What are the key properties of 4-amino-N-[2-(2,2-difluoroethoxy)ethyl]pyridine-3-sulfonamide?
4-amino-N-[2-(2,2-difluoroethoxy)ethyl]pyridine-3-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 4-amino-N-[2-(2,2-difluoroethoxy)ethyl]pyridine-3-sulfonamide is sourced from PubChem (CID 114129365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).