3-[3-(3,4-dimethylphenyl)-2-pyridinyl]-5-fluorobenzenesulfonamide

C19H17FN2O2S — CID 18754893

IUPAC3-[3-(3,4-dimethylphenyl)-2-pyridinyl]-5-fluorobenzenesulfonamide
SMILESCc1ccc(-c2cccnc2-c2cc(F)cc(S(N)(=O)=O)c2)cc1C
InChIInChI=1S/C19H17FN2O2S/c1-12-5-6-14(8-13(12)2)18-4-3-7-22-19(18)15-9-16(20)11-17(10-15)25(21,23)24/h3-11H,1-2H3,(H2,21,23,24)
InChIKeyMWLRMUZGYBVQSM-UHFFFAOYSA-N
MW356.42 g/mol
LogP3.82
Rot. Bonds3

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

3-[3-(3,4-dimethylphenyl)-2-pyridinyl]-5-fluorobenzenesulfonamide (PubChem CID 18754893) has the molecular formula C19H17FN2O2S and a molecular weight of 356.42 g/mol. Its IUPAC name is 3-[3-(3,4-dimethylphenyl)-2-pyridinyl]-5-fluorobenzenesulfonamide.

Molecular Properties

Compound Name3-[3-(3,4-dimethylphenyl)-2-pyridinyl]-5-fluorobenzenesulfonamide
PubChem CID18754893
Molecular FormulaC19H17FN2O2S
Molecular Weight356.42 g/mol
Exact Mass356.10
IUPAC Name3-[3-(3,4-dimethylphenyl)-2-pyridinyl]-5-fluorobenzenesulfonamide
SMILESCc1ccc(-c2cccnc2-c2cc(F)cc(S(N)(=O)=O)c2)cc1C
InChIInChI=1S/C19H17FN2O2S/c1-12-5-6-14(8-13(12)2)18-4-3-7-22-19(18)15-9-16(20)11-17(10-15)25(21,23)24/h3-11H,1-2H3,(H2,21,23,24)
InChIKeyMWLRMUZGYBVQSM-UHFFFAOYSA-N
XLogP3.82
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(3,4-dimethylphenyl)-2-pyridinyl]-5-fluorobenzenesulfonamide?
The IUPAC name of 3-[3-(3,4-dimethylphenyl)-2-pyridinyl]-5-fluorobenzenesulfonamide (CID 18754893) is 3-[3-(3,4-dimethylphenyl)-2-pyridinyl]-5-fluorobenzenesulfonamide.
What is the SMILES notation for 3-[3-(3,4-dimethylphenyl)-2-pyridinyl]-5-fluorobenzenesulfonamide?
The canonical SMILES for 3-[3-(3,4-dimethylphenyl)-2-pyridinyl]-5-fluorobenzenesulfonamide is Cc1ccc(-c2cccnc2-c2cc(F)cc(S(N)(=O)=O)c2)cc1C.
What is the InChIKey of 3-[3-(3,4-dimethylphenyl)-2-pyridinyl]-5-fluorobenzenesulfonamide?
The InChIKey is MWLRMUZGYBVQSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O2S/c1-12-5-6-14(8-13(12)2)18-4-3-7-22-19(18)15-9-16(20)11-17(10-15)25(21,23)24/h3-11H,1-2H3,(H2,21,23,24).
What are the key properties of 3-[3-(3,4-dimethylphenyl)-2-pyridinyl]-5-fluorobenzenesulfonamide?
3-[3-(3,4-dimethylphenyl)-2-pyridinyl]-5-fluorobenzenesulfonamide has a molecular weight of 356.42 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3,4-dimethylphenyl)-2-pyridinyl]-5-fluorobenzenesulfonamide is sourced from PubChem (CID 18754893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).