3-chloro-N-[6-(2-fluorophenyl)-2-pyridinyl]-2-methylbenzenesulfonamide

C18H14ClFN2O2S — CID 11559857

IUPAC3-chloro-N-[6-(2-fluorophenyl)-2-pyridinyl]-2-methylbenzenesulfonamide
SMILESCc1c(Cl)cccc1S(=O)(=O)Nc1cccc(-c2ccccc2F)n1
InChIInChI=1S/C18H14ClFN2O2S/c1-12-14(19)7-4-10-17(12)25(23,24)22-18-11-5-9-16(21-18)13-6-2-3-8-15(13)20/h2-11H,1H3,(H,21,22)
InChIKeyPIFUCDJUZFPMNF-UHFFFAOYSA-N
MW376.84 g/mol
LogP4.65
Rot. Bonds4

About 3-chloro-N-[6-(2-fluorophenyl)-2-pyridinyl]-2-methylbenzenesulfonamide

3-chloro-N-[6-(2-fluorophenyl)-2-pyridinyl]-2-methylbenzenesulfonamide (PubChem CID 11559857) has the molecular formula C18H14ClFN2O2S and a molecular weight of 376.84 g/mol. Its IUPAC name is 3-chloro-N-[6-(2-fluorophenyl)-2-pyridinyl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[6-(2-fluorophenyl)-2-pyridinyl]-2-methylbenzenesulfonamide
PubChem CID11559857
Molecular FormulaC18H14ClFN2O2S
Molecular Weight376.84 g/mol
Exact Mass376.04
IUPAC Name3-chloro-N-[6-(2-fluorophenyl)-2-pyridinyl]-2-methylbenzenesulfonamide
SMILESCc1c(Cl)cccc1S(=O)(=O)Nc1cccc(-c2ccccc2F)n1
InChIInChI=1S/C18H14ClFN2O2S/c1-12-14(19)7-4-10-17(12)25(23,24)22-18-11-5-9-16(21-18)13-6-2-3-8-15(13)20/h2-11H,1H3,(H,21,22)
InChIKeyPIFUCDJUZFPMNF-UHFFFAOYSA-N
XLogP4.65
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.84
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[6-(2-fluorophenyl)-2-pyridinyl]-2-methylbenzenesulfonamide?
The IUPAC name of 3-chloro-N-[6-(2-fluorophenyl)-2-pyridinyl]-2-methylbenzenesulfonamide (CID 11559857) is 3-chloro-N-[6-(2-fluorophenyl)-2-pyridinyl]-2-methylbenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[6-(2-fluorophenyl)-2-pyridinyl]-2-methylbenzenesulfonamide?
The canonical SMILES for 3-chloro-N-[6-(2-fluorophenyl)-2-pyridinyl]-2-methylbenzenesulfonamide is Cc1c(Cl)cccc1S(=O)(=O)Nc1cccc(-c2ccccc2F)n1.
What is the InChIKey of 3-chloro-N-[6-(2-fluorophenyl)-2-pyridinyl]-2-methylbenzenesulfonamide?
The InChIKey is PIFUCDJUZFPMNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN2O2S/c1-12-14(19)7-4-10-17(12)25(23,24)22-18-11-5-9-16(21-18)13-6-2-3-8-15(13)20/h2-11H,1H3,(H,21,22).
What are the key properties of 3-chloro-N-[6-(2-fluorophenyl)-2-pyridinyl]-2-methylbenzenesulfonamide?
3-chloro-N-[6-(2-fluorophenyl)-2-pyridinyl]-2-methylbenzenesulfonamide has a molecular weight of 376.84 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[6-(2-fluorophenyl)-2-pyridinyl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 11559857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).