2-fluoro-4-(3-pyridin-3-yl-2H-pyridin-3-yl)benzenesulfonamide

C16H14FN3O2S — CID 139972074

IUPAC2-fluoro-4-(3-pyridin-3-yl-2H-pyridin-3-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(C2(c3cccnc3)C=CC=NC2)cc1F
InChIInChI=1S/C16H14FN3O2S/c17-14-9-12(4-5-15(14)23(18,21)22)16(6-2-8-20-11-16)13-3-1-7-19-10-13/h1-10H,11H2,(H2,18,21,22)
InChIKeyFNVHVIIVLLKUIX-UHFFFAOYSA-N
MW331.37 g/mol
LogP1.79
Rot. Bonds3

About 2-fluoro-4-(3-pyridin-3-yl-2H-pyridin-3-yl)benzenesulfonamide

2-fluoro-4-(3-pyridin-3-yl-2H-pyridin-3-yl)benzenesulfonamide (PubChem CID 139972074) has the molecular formula C16H14FN3O2S and a molecular weight of 331.37 g/mol. Its IUPAC name is 2-fluoro-4-(3-pyridin-3-yl-2H-pyridin-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-4-(3-pyridin-3-yl-2H-pyridin-3-yl)benzenesulfonamide
PubChem CID139972074
Molecular FormulaC16H14FN3O2S
Molecular Weight331.37 g/mol
Exact Mass331.08
IUPAC Name2-fluoro-4-(3-pyridin-3-yl-2H-pyridin-3-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(C2(c3cccnc3)C=CC=NC2)cc1F
InChIInChI=1S/C16H14FN3O2S/c17-14-9-12(4-5-15(14)23(18,21)22)16(6-2-8-20-11-16)13-3-1-7-19-10-13/h1-10H,11H2,(H2,18,21,22)
InChIKeyFNVHVIIVLLKUIX-UHFFFAOYSA-N
XLogP1.79
TPSA85.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(3-pyridin-3-yl-2H-pyridin-3-yl)benzenesulfonamide?
The IUPAC name of 2-fluoro-4-(3-pyridin-3-yl-2H-pyridin-3-yl)benzenesulfonamide (CID 139972074) is 2-fluoro-4-(3-pyridin-3-yl-2H-pyridin-3-yl)benzenesulfonamide.
What is the SMILES notation for 2-fluoro-4-(3-pyridin-3-yl-2H-pyridin-3-yl)benzenesulfonamide?
The canonical SMILES for 2-fluoro-4-(3-pyridin-3-yl-2H-pyridin-3-yl)benzenesulfonamide is NS(=O)(=O)c1ccc(C2(c3cccnc3)C=CC=NC2)cc1F.
What is the InChIKey of 2-fluoro-4-(3-pyridin-3-yl-2H-pyridin-3-yl)benzenesulfonamide?
The InChIKey is FNVHVIIVLLKUIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O2S/c17-14-9-12(4-5-15(14)23(18,21)22)16(6-2-8-20-11-16)13-3-1-7-19-10-13/h1-10H,11H2,(H2,18,21,22).
What are the key properties of 2-fluoro-4-(3-pyridin-3-yl-2H-pyridin-3-yl)benzenesulfonamide?
2-fluoro-4-(3-pyridin-3-yl-2H-pyridin-3-yl)benzenesulfonamide has a molecular weight of 331.37 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(3-pyridin-3-yl-2H-pyridin-3-yl)benzenesulfonamide is sourced from PubChem (CID 139972074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).