N-(2,6-difluoro-3-pyridinyl)-2-pyridin-2-ylethanesulfonamide

C12H11F2N3O2S — CID 103098114

IUPACN-(2,6-difluoro-3-pyridinyl)-2-pyridin-2-ylethanesulfonamide
SMILESO=S(=O)(CCc1ccccn1)Nc1ccc(F)nc1F
InChIInChI=1S/C12H11F2N3O2S/c13-11-5-4-10(12(14)16-11)17-20(18,19)8-6-9-3-1-2-7-15-9/h1-5,7,17H,6,8H2
InChIKeyMUEMAKSCVCABHC-UHFFFAOYSA-N
MW299.30 g/mol
LogP1.74
Rot. Bonds5

About N-(2,6-difluoro-3-pyridinyl)-2-pyridin-2-ylethanesulfonamide

N-(2,6-difluoro-3-pyridinyl)-2-pyridin-2-ylethanesulfonamide (PubChem CID 103098114) has the molecular formula C12H11F2N3O2S and a molecular weight of 299.30 g/mol. Its IUPAC name is N-(2,6-difluoro-3-pyridinyl)-2-pyridin-2-ylethanesulfonamide.

Molecular Properties

Compound NameN-(2,6-difluoro-3-pyridinyl)-2-pyridin-2-ylethanesulfonamide
PubChem CID103098114
Molecular FormulaC12H11F2N3O2S
Molecular Weight299.30 g/mol
Exact Mass299.05
IUPAC NameN-(2,6-difluoro-3-pyridinyl)-2-pyridin-2-ylethanesulfonamide
SMILESO=S(=O)(CCc1ccccn1)Nc1ccc(F)nc1F
InChIInChI=1S/C12H11F2N3O2S/c13-11-5-4-10(12(14)16-11)17-20(18,19)8-6-9-3-1-2-7-15-9/h1-5,7,17H,6,8H2
InChIKeyMUEMAKSCVCABHC-UHFFFAOYSA-N
XLogP1.74
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 51.74
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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Related Compounds

N-(2-aminophenyl)-2-pyridin-2-ylethanesulfonamide
CID 60864371
N-(5-bromo-2-chlorophenyl)-2-pyridin-2-ylethanesulfonamide
CID 62909121
N-(5-chloro-2-hydroxyphenyl)-2-pyridin-2-ylethanesulfonamide
CID 25040971
N-(5-amino-2-methylphenyl)-2-pyridin-2-ylethanesulfonamide
CID 60864543
2-pyridin-2-yl-N-(1H-1,2,4-triazol-5-yl)ethanesulfonamide
CID 62945798
methyl 4-(2-pyridin-2-ylethylsulfonylamino)thiophene-3-carboxylate
CID 25046544
N-(6-amino-3-pyridinyl)-2-pyridin-2-ylethanesulfonamide
CID 55026068
N-(3-phenylpropyl)-2-pyridin-2-ylethanesulfonamide
CID 74224453
N-(2,6-difluoro-3-pyridinyl)methanesulfonamide
CID 103098097
N-[4-(1-aminoethyl)phenyl]-2-pyridin-2-ylethanesulfonamide
CID 60864926
N-(2-azidoethyl)-2-pyridin-2-ylethanesulfonamide
CID 61343078
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-pyridin-2-ylethanesulfonamide
CID 3667629

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluoro-3-pyridinyl)-2-pyridin-2-ylethanesulfonamide?
The IUPAC name of N-(2,6-difluoro-3-pyridinyl)-2-pyridin-2-ylethanesulfonamide (CID 103098114) is N-(2,6-difluoro-3-pyridinyl)-2-pyridin-2-ylethanesulfonamide.
What is the SMILES notation for N-(2,6-difluoro-3-pyridinyl)-2-pyridin-2-ylethanesulfonamide?
The canonical SMILES for N-(2,6-difluoro-3-pyridinyl)-2-pyridin-2-ylethanesulfonamide is O=S(=O)(CCc1ccccn1)Nc1ccc(F)nc1F.
What is the InChIKey of N-(2,6-difluoro-3-pyridinyl)-2-pyridin-2-ylethanesulfonamide?
The InChIKey is MUEMAKSCVCABHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2N3O2S/c13-11-5-4-10(12(14)16-11)17-20(18,19)8-6-9-3-1-2-7-15-9/h1-5,7,17H,6,8H2.
What are the key properties of N-(2,6-difluoro-3-pyridinyl)-2-pyridin-2-ylethanesulfonamide?
N-(2,6-difluoro-3-pyridinyl)-2-pyridin-2-ylethanesulfonamide has a molecular weight of 299.30 g/mol, XLogP of 1.74, 5 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-pyridin-2-ylethanesulfonamide is sourced from PubChem (CID 103098114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).