N-(2,6-difluoro-3-pyridinyl)-2-propan-2-yloxyethanesulfonamide

C10H14F2N2O3S — CID 103098248

IUPACN-(2,6-difluoro-3-pyridinyl)-2-propan-2-yloxyethanesulfonamide
SMILESCC(C)OCCS(=O)(=O)Nc1ccc(F)nc1F
InChIInChI=1S/C10H14F2N2O3S/c1-7(2)17-5-6-18(15,16)14-8-3-4-9(11)13-10(8)12/h3-4,7,14H,5-6H2,1-2H3
InChIKeyRKQWLHUDOWRMRE-UHFFFAOYSA-N
MW280.30 g/mol
LogP1.53
Rot. Bonds6

About N-(2,6-difluoro-3-pyridinyl)-2-propan-2-yloxyethanesulfonamide

N-(2,6-difluoro-3-pyridinyl)-2-propan-2-yloxyethanesulfonamide (PubChem CID 103098248) has the molecular formula C10H14F2N2O3S and a molecular weight of 280.30 g/mol. Its IUPAC name is N-(2,6-difluoro-3-pyridinyl)-2-propan-2-yloxyethanesulfonamide.

Molecular Properties

Compound NameN-(2,6-difluoro-3-pyridinyl)-2-propan-2-yloxyethanesulfonamide
PubChem CID103098248
Molecular FormulaC10H14F2N2O3S
Molecular Weight280.30 g/mol
Exact Mass280.07
IUPAC NameN-(2,6-difluoro-3-pyridinyl)-2-propan-2-yloxyethanesulfonamide
SMILESCC(C)OCCS(=O)(=O)Nc1ccc(F)nc1F
InChIInChI=1S/C10H14F2N2O3S/c1-7(2)17-5-6-18(15,16)14-8-3-4-9(11)13-10(8)12/h3-4,7,14H,5-6H2,1-2H3
InChIKeyRKQWLHUDOWRMRE-UHFFFAOYSA-N
XLogP1.53
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluoro-3-pyridinyl)-2-propan-2-yloxyethanesulfonamide?
The IUPAC name of N-(2,6-difluoro-3-pyridinyl)-2-propan-2-yloxyethanesulfonamide (CID 103098248) is N-(2,6-difluoro-3-pyridinyl)-2-propan-2-yloxyethanesulfonamide.
What is the SMILES notation for N-(2,6-difluoro-3-pyridinyl)-2-propan-2-yloxyethanesulfonamide?
The canonical SMILES for N-(2,6-difluoro-3-pyridinyl)-2-propan-2-yloxyethanesulfonamide is CC(C)OCCS(=O)(=O)Nc1ccc(F)nc1F.
What is the InChIKey of N-(2,6-difluoro-3-pyridinyl)-2-propan-2-yloxyethanesulfonamide?
The InChIKey is RKQWLHUDOWRMRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N2O3S/c1-7(2)17-5-6-18(15,16)14-8-3-4-9(11)13-10(8)12/h3-4,7,14H,5-6H2,1-2H3.
What are the key properties of N-(2,6-difluoro-3-pyridinyl)-2-propan-2-yloxyethanesulfonamide?
N-(2,6-difluoro-3-pyridinyl)-2-propan-2-yloxyethanesulfonamide has a molecular weight of 280.30 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluoro-3-pyridinyl)-2-propan-2-yloxyethanesulfonamide is sourced from PubChem (CID 103098248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).