3-fluoro-5-[3-(3-fluoro-4-methylphenyl)-2-pyridinyl]benzenesulfonamide

C18H14F2N2O2S — CID 18754473

IUPAC3-fluoro-5-[3-(3-fluoro-4-methylphenyl)-2-pyridinyl]benzenesulfonamide
SMILESCc1ccc(-c2cccnc2-c2cc(F)cc(S(N)(=O)=O)c2)cc1F
InChIInChI=1S/C18H14F2N2O2S/c1-11-4-5-12(9-17(11)20)16-3-2-6-22-18(16)13-7-14(19)10-15(8-13)25(21,23)24/h2-10H,1H3,(H2,21,23,24)
InChIKeyXRLLVWNQMWZCGA-UHFFFAOYSA-N
MW360.39 g/mol
LogP3.65
Rot. Bonds3

About 3-fluoro-5-[3-(3-fluoro-4-methylphenyl)-2-pyridinyl]benzenesulfonamide

3-fluoro-5-[3-(3-fluoro-4-methylphenyl)-2-pyridinyl]benzenesulfonamide (PubChem CID 18754473) has the molecular formula C18H14F2N2O2S and a molecular weight of 360.39 g/mol. Its IUPAC name is 3-fluoro-5-[3-(3-fluoro-4-methylphenyl)-2-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-5-[3-(3-fluoro-4-methylphenyl)-2-pyridinyl]benzenesulfonamide
PubChem CID18754473
Molecular FormulaC18H14F2N2O2S
Molecular Weight360.39 g/mol
Exact Mass360.07
IUPAC Name3-fluoro-5-[3-(3-fluoro-4-methylphenyl)-2-pyridinyl]benzenesulfonamide
SMILESCc1ccc(-c2cccnc2-c2cc(F)cc(S(N)(=O)=O)c2)cc1F
InChIInChI=1S/C18H14F2N2O2S/c1-11-4-5-12(9-17(11)20)16-3-2-6-22-18(16)13-7-14(19)10-15(8-13)25(21,23)24/h2-10H,1H3,(H2,21,23,24)
InChIKeyXRLLVWNQMWZCGA-UHFFFAOYSA-N
XLogP3.65
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-[3-(3-fluoro-4-methylphenyl)-2-pyridinyl]benzenesulfonamide?
The IUPAC name of 3-fluoro-5-[3-(3-fluoro-4-methylphenyl)-2-pyridinyl]benzenesulfonamide (CID 18754473) is 3-fluoro-5-[3-(3-fluoro-4-methylphenyl)-2-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 3-fluoro-5-[3-(3-fluoro-4-methylphenyl)-2-pyridinyl]benzenesulfonamide?
The canonical SMILES for 3-fluoro-5-[3-(3-fluoro-4-methylphenyl)-2-pyridinyl]benzenesulfonamide is Cc1ccc(-c2cccnc2-c2cc(F)cc(S(N)(=O)=O)c2)cc1F.
What is the InChIKey of 3-fluoro-5-[3-(3-fluoro-4-methylphenyl)-2-pyridinyl]benzenesulfonamide?
The InChIKey is XRLLVWNQMWZCGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N2O2S/c1-11-4-5-12(9-17(11)20)16-3-2-6-22-18(16)13-7-14(19)10-15(8-13)25(21,23)24/h2-10H,1H3,(H2,21,23,24).
What are the key properties of 3-fluoro-5-[3-(3-fluoro-4-methylphenyl)-2-pyridinyl]benzenesulfonamide?
3-fluoro-5-[3-(3-fluoro-4-methylphenyl)-2-pyridinyl]benzenesulfonamide has a molecular weight of 360.39 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-[3-(3-fluoro-4-methylphenyl)-2-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 18754473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).