3-[3-(3,5-dibromophenyl)-2-pyridinyl]-5-fluorobenzenesulfonamide

C17H11Br2FN2O2S — CID 18754526

IUPAC3-[3-(3,5-dibromophenyl)-2-pyridinyl]-5-fluorobenzenesulfonamide
SMILESNS(=O)(=O)c1cc(F)cc(-c2ncccc2-c2cc(Br)cc(Br)c2)c1
InChIInChI=1S/C17H11Br2FN2O2S/c18-12-4-10(5-13(19)8-12)16-2-1-3-22-17(16)11-6-14(20)9-15(7-11)25(21,23)24/h1-9H,(H2,21,23,24)
InChIKeyZXGNPFBMMGGXAY-UHFFFAOYSA-N
MW486.16 g/mol
LogP4.73
Rot. Bonds3

About 3-[3-(3,5-dibromophenyl)-2-pyridinyl]-5-fluorobenzenesulfonamide

3-[3-(3,5-dibromophenyl)-2-pyridinyl]-5-fluorobenzenesulfonamide (PubChem CID 18754526) has the molecular formula C17H11Br2FN2O2S and a molecular weight of 486.16 g/mol. Its IUPAC name is 3-[3-(3,5-dibromophenyl)-2-pyridinyl]-5-fluorobenzenesulfonamide.

Molecular Properties

Compound Name3-[3-(3,5-dibromophenyl)-2-pyridinyl]-5-fluorobenzenesulfonamide
PubChem CID18754526
Molecular FormulaC17H11Br2FN2O2S
Molecular Weight486.16 g/mol
Exact Mass483.89
IUPAC Name3-[3-(3,5-dibromophenyl)-2-pyridinyl]-5-fluorobenzenesulfonamide
SMILESNS(=O)(=O)c1cc(F)cc(-c2ncccc2-c2cc(Br)cc(Br)c2)c1
InChIInChI=1S/C17H11Br2FN2O2S/c18-12-4-10(5-13(19)8-12)16-2-1-3-22-17(16)11-6-14(20)9-15(7-11)25(21,23)24/h1-9H,(H2,21,23,24)
InChIKeyZXGNPFBMMGGXAY-UHFFFAOYSA-N
XLogP4.73
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.16
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(3,5-dibromophenyl)-2-pyridinyl]-5-fluorobenzenesulfonamide?
The IUPAC name of 3-[3-(3,5-dibromophenyl)-2-pyridinyl]-5-fluorobenzenesulfonamide (CID 18754526) is 3-[3-(3,5-dibromophenyl)-2-pyridinyl]-5-fluorobenzenesulfonamide.
What is the SMILES notation for 3-[3-(3,5-dibromophenyl)-2-pyridinyl]-5-fluorobenzenesulfonamide?
The canonical SMILES for 3-[3-(3,5-dibromophenyl)-2-pyridinyl]-5-fluorobenzenesulfonamide is NS(=O)(=O)c1cc(F)cc(-c2ncccc2-c2cc(Br)cc(Br)c2)c1.
What is the InChIKey of 3-[3-(3,5-dibromophenyl)-2-pyridinyl]-5-fluorobenzenesulfonamide?
The InChIKey is ZXGNPFBMMGGXAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Br2FN2O2S/c18-12-4-10(5-13(19)8-12)16-2-1-3-22-17(16)11-6-14(20)9-15(7-11)25(21,23)24/h1-9H,(H2,21,23,24).
What are the key properties of 3-[3-(3,5-dibromophenyl)-2-pyridinyl]-5-fluorobenzenesulfonamide?
3-[3-(3,5-dibromophenyl)-2-pyridinyl]-5-fluorobenzenesulfonamide has a molecular weight of 486.16 g/mol, XLogP of 4.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3,5-dibromophenyl)-2-pyridinyl]-5-fluorobenzenesulfonamide is sourced from PubChem (CID 18754526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).