3-[3-(3-cyanophenyl)-2-pyridinyl]-5-fluorobenzenesulfonamide

C18H12FN3O2S — CID 18754834

IUPAC3-[3-(3-cyanophenyl)-2-pyridinyl]-5-fluorobenzenesulfonamide
SMILESN#Cc1cccc(-c2cccnc2-c2cc(F)cc(S(N)(=O)=O)c2)c1
InChIInChI=1S/C18H12FN3O2S/c19-15-8-14(9-16(10-15)25(21,23)24)18-17(5-2-6-22-18)13-4-1-3-12(7-13)11-20/h1-10H,(H2,21,23,24)
InChIKeyMFRBMPYZVMCSIQ-UHFFFAOYSA-N
MW353.38 g/mol
LogP3.07
Rot. Bonds3

About 3-[3-(3-cyanophenyl)-2-pyridinyl]-5-fluorobenzenesulfonamide

3-[3-(3-cyanophenyl)-2-pyridinyl]-5-fluorobenzenesulfonamide (PubChem CID 18754834) has the molecular formula C18H12FN3O2S and a molecular weight of 353.38 g/mol. Its IUPAC name is 3-[3-(3-cyanophenyl)-2-pyridinyl]-5-fluorobenzenesulfonamide.

Molecular Properties

Compound Name3-[3-(3-cyanophenyl)-2-pyridinyl]-5-fluorobenzenesulfonamide
PubChem CID18754834
Molecular FormulaC18H12FN3O2S
Molecular Weight353.38 g/mol
Exact Mass353.06
IUPAC Name3-[3-(3-cyanophenyl)-2-pyridinyl]-5-fluorobenzenesulfonamide
SMILESN#Cc1cccc(-c2cccnc2-c2cc(F)cc(S(N)(=O)=O)c2)c1
InChIInChI=1S/C18H12FN3O2S/c19-15-8-14(9-16(10-15)25(21,23)24)18-17(5-2-6-22-18)13-4-1-3-12(7-13)11-20/h1-10H,(H2,21,23,24)
InChIKeyMFRBMPYZVMCSIQ-UHFFFAOYSA-N
XLogP3.07
TPSA96.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-cyanophenyl)-2-pyridinyl]-5-fluorobenzenesulfonamide?
The IUPAC name of 3-[3-(3-cyanophenyl)-2-pyridinyl]-5-fluorobenzenesulfonamide (CID 18754834) is 3-[3-(3-cyanophenyl)-2-pyridinyl]-5-fluorobenzenesulfonamide.
What is the SMILES notation for 3-[3-(3-cyanophenyl)-2-pyridinyl]-5-fluorobenzenesulfonamide?
The canonical SMILES for 3-[3-(3-cyanophenyl)-2-pyridinyl]-5-fluorobenzenesulfonamide is N#Cc1cccc(-c2cccnc2-c2cc(F)cc(S(N)(=O)=O)c2)c1.
What is the InChIKey of 3-[3-(3-cyanophenyl)-2-pyridinyl]-5-fluorobenzenesulfonamide?
The InChIKey is MFRBMPYZVMCSIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FN3O2S/c19-15-8-14(9-16(10-15)25(21,23)24)18-17(5-2-6-22-18)13-4-1-3-12(7-13)11-20/h1-10H,(H2,21,23,24).
What are the key properties of 3-[3-(3-cyanophenyl)-2-pyridinyl]-5-fluorobenzenesulfonamide?
3-[3-(3-cyanophenyl)-2-pyridinyl]-5-fluorobenzenesulfonamide has a molecular weight of 353.38 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-cyanophenyl)-2-pyridinyl]-5-fluorobenzenesulfonamide is sourced from PubChem (CID 18754834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).