3-[3-(4-bromophenyl)-2-pyridinyl]-5-fluorobenzenesulfonamide

C17H12BrFN2O2S — CID 18754812

IUPAC3-[3-(4-bromophenyl)-2-pyridinyl]-5-fluorobenzenesulfonamide
SMILESNS(=O)(=O)c1cc(F)cc(-c2ncccc2-c2ccc(Br)cc2)c1
InChIInChI=1S/C17H12BrFN2O2S/c18-13-5-3-11(4-6-13)16-2-1-7-21-17(16)12-8-14(19)10-15(9-12)24(20,22)23/h1-10H,(H2,20,22,23)
InChIKeyVXPAPEKBSFAFQU-UHFFFAOYSA-N
MW407.26 g/mol
LogP3.96
Rot. Bonds3

About 3-[3-(4-bromophenyl)-2-pyridinyl]-5-fluorobenzenesulfonamide

3-[3-(4-bromophenyl)-2-pyridinyl]-5-fluorobenzenesulfonamide (PubChem CID 18754812) has the molecular formula C17H12BrFN2O2S and a molecular weight of 407.26 g/mol. Its IUPAC name is 3-[3-(4-bromophenyl)-2-pyridinyl]-5-fluorobenzenesulfonamide.

Molecular Properties

Compound Name3-[3-(4-bromophenyl)-2-pyridinyl]-5-fluorobenzenesulfonamide
PubChem CID18754812
Molecular FormulaC17H12BrFN2O2S
Molecular Weight407.26 g/mol
Exact Mass405.98
IUPAC Name3-[3-(4-bromophenyl)-2-pyridinyl]-5-fluorobenzenesulfonamide
SMILESNS(=O)(=O)c1cc(F)cc(-c2ncccc2-c2ccc(Br)cc2)c1
InChIInChI=1S/C17H12BrFN2O2S/c18-13-5-3-11(4-6-13)16-2-1-7-21-17(16)12-8-14(19)10-15(9-12)24(20,22)23/h1-10H,(H2,20,22,23)
InChIKeyVXPAPEKBSFAFQU-UHFFFAOYSA-N
XLogP3.96
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.26
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-bromophenyl)-2-pyridinyl]-5-fluorobenzenesulfonamide?
The IUPAC name of 3-[3-(4-bromophenyl)-2-pyridinyl]-5-fluorobenzenesulfonamide (CID 18754812) is 3-[3-(4-bromophenyl)-2-pyridinyl]-5-fluorobenzenesulfonamide.
What is the SMILES notation for 3-[3-(4-bromophenyl)-2-pyridinyl]-5-fluorobenzenesulfonamide?
The canonical SMILES for 3-[3-(4-bromophenyl)-2-pyridinyl]-5-fluorobenzenesulfonamide is NS(=O)(=O)c1cc(F)cc(-c2ncccc2-c2ccc(Br)cc2)c1.
What is the InChIKey of 3-[3-(4-bromophenyl)-2-pyridinyl]-5-fluorobenzenesulfonamide?
The InChIKey is VXPAPEKBSFAFQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrFN2O2S/c18-13-5-3-11(4-6-13)16-2-1-7-21-17(16)12-8-14(19)10-15(9-12)24(20,22)23/h1-10H,(H2,20,22,23).
What are the key properties of 3-[3-(4-bromophenyl)-2-pyridinyl]-5-fluorobenzenesulfonamide?
3-[3-(4-bromophenyl)-2-pyridinyl]-5-fluorobenzenesulfonamide has a molecular weight of 407.26 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-bromophenyl)-2-pyridinyl]-5-fluorobenzenesulfonamide is sourced from PubChem (CID 18754812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).