N-[2-(2,2-difluoroethoxy)ethyl]-6-oxo-1H-pyridine-3-sulfonamide

C9H12F2N2O4S — CID 114128815

IUPACN-[2-(2,2-difluoroethoxy)ethyl]-6-oxo-1H-pyridine-3-sulfonamide
SMILESO=c1ccc(S(=O)(=O)NCCOCC(F)F)c[nH]1
InChIInChI=1S/C9H12F2N2O4S/c10-8(11)6-17-4-3-13-18(15,16)7-1-2-9(14)12-5-7/h1-2,5,8,13H,3-4,6H2,(H,12,14)
InChIKeyWZWZZNBZUHAMHP-UHFFFAOYSA-N
MW282.27 g/mol
LogP-0.07
Rot. Bonds7

About N-[2-(2,2-difluoroethoxy)ethyl]-6-oxo-1H-pyridine-3-sulfonamide

N-[2-(2,2-difluoroethoxy)ethyl]-6-oxo-1H-pyridine-3-sulfonamide (PubChem CID 114128815) has the molecular formula C9H12F2N2O4S and a molecular weight of 282.27 g/mol. Its IUPAC name is N-[2-(2,2-difluoroethoxy)ethyl]-6-oxo-1H-pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[2-(2,2-difluoroethoxy)ethyl]-6-oxo-1H-pyridine-3-sulfonamide
PubChem CID114128815
Molecular FormulaC9H12F2N2O4S
Molecular Weight282.27 g/mol
Exact Mass282.05
IUPAC NameN-[2-(2,2-difluoroethoxy)ethyl]-6-oxo-1H-pyridine-3-sulfonamide
SMILESO=c1ccc(S(=O)(=O)NCCOCC(F)F)c[nH]1
InChIInChI=1S/C9H12F2N2O4S/c10-8(11)6-17-4-3-13-18(15,16)7-1-2-9(14)12-5-7/h1-2,5,8,13H,3-4,6H2,(H,12,14)
InChIKeyWZWZZNBZUHAMHP-UHFFFAOYSA-N
XLogP-0.07
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.27
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2,2-difluoroethoxy)ethyl]-4-(hydroxymethyl)benzenesulfonamide
CID 106001506
6-oxo-N-(4,4,4-trifluorobutyl)-1H-pyridine-3-sulfonamide
CID 115521683
N-[2-[di(propan-2-yl)amino]ethyl]-6-oxo-1H-pyridine-3-sulfonamide
CID 43629075
N-(2-methylpropyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 43629041
N-(1-methoxypropan-2-yl)-6-oxo-1H-pyridine-3-sulfonamide
CID 43629090
N-(3-methyl-2-propan-2-ylbutyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 102907510
N-(3-ethylsulfanylpropyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 114248446
N-(1-hydroxy-3-methoxypropan-2-yl)-6-oxo-1H-pyridine-3-sulfonamide
CID 106197387
N-methoxy-6-oxo-1H-pyridine-3-sulfonamide
CID 107858243
3-amino-N-[2-(2,2-difluoroethoxy)ethyl]pyridine-2-sulfonamide
CID 114129366
N-[2-(2,2-difluoroethoxy)ethyl]-2-(hydroxymethyl)thiophene-3-sulfonamide
CID 106001559
2-bromo-N-[2-(2,2-difluoroethoxy)ethyl]-4-methylbenzenesulfonamide
CID 103081891

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2-difluoroethoxy)ethyl]-6-oxo-1H-pyridine-3-sulfonamide?
The IUPAC name of N-[2-(2,2-difluoroethoxy)ethyl]-6-oxo-1H-pyridine-3-sulfonamide (CID 114128815) is N-[2-(2,2-difluoroethoxy)ethyl]-6-oxo-1H-pyridine-3-sulfonamide.
What is the SMILES notation for N-[2-(2,2-difluoroethoxy)ethyl]-6-oxo-1H-pyridine-3-sulfonamide?
The canonical SMILES for N-[2-(2,2-difluoroethoxy)ethyl]-6-oxo-1H-pyridine-3-sulfonamide is O=c1ccc(S(=O)(=O)NCCOCC(F)F)c[nH]1.
What is the InChIKey of N-[2-(2,2-difluoroethoxy)ethyl]-6-oxo-1H-pyridine-3-sulfonamide?
The InChIKey is WZWZZNBZUHAMHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2N2O4S/c10-8(11)6-17-4-3-13-18(15,16)7-1-2-9(14)12-5-7/h1-2,5,8,13H,3-4,6H2,(H,12,14).
What are the key properties of N-[2-(2,2-difluoroethoxy)ethyl]-6-oxo-1H-pyridine-3-sulfonamide?
N-[2-(2,2-difluoroethoxy)ethyl]-6-oxo-1H-pyridine-3-sulfonamide has a molecular weight of 282.27 g/mol, XLogP of -0.07, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2-difluoroethoxy)ethyl]-6-oxo-1H-pyridine-3-sulfonamide is sourced from PubChem (CID 114128815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).