5-chloro-N-[5-(4-fluorophenyl)-6-methyl-2-pyridinyl]-2-methoxybenzenesulfonamide

C19H16ClFN2O3S — CID 11625623

IUPAC5-chloro-N-[5-(4-fluorophenyl)-6-methyl-2-pyridinyl]-2-methoxybenzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(-c2ccc(F)cc2)c(C)n1
InChIInChI=1S/C19H16ClFN2O3S/c1-12-16(13-3-6-15(21)7-4-13)8-10-19(22-12)23-27(24,25)18-11-14(20)5-9-17(18)26-2/h3-11H,1-2H3,(H,22,23)
InChIKeyBSDPRWKFLQPWOH-UHFFFAOYSA-N
MW406.87 g/mol
LogP4.66
Rot. Bonds5

About 5-chloro-N-[5-(4-fluorophenyl)-6-methyl-2-pyridinyl]-2-methoxybenzenesulfonamide

5-chloro-N-[5-(4-fluorophenyl)-6-methyl-2-pyridinyl]-2-methoxybenzenesulfonamide (PubChem CID 11625623) has the molecular formula C19H16ClFN2O3S and a molecular weight of 406.87 g/mol. Its IUPAC name is 5-chloro-N-[5-(4-fluorophenyl)-6-methyl-2-pyridinyl]-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name5-chloro-N-[5-(4-fluorophenyl)-6-methyl-2-pyridinyl]-2-methoxybenzenesulfonamide
PubChem CID11625623
Molecular FormulaC19H16ClFN2O3S
Molecular Weight406.87 g/mol
Exact Mass406.06
IUPAC Name5-chloro-N-[5-(4-fluorophenyl)-6-methyl-2-pyridinyl]-2-methoxybenzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(-c2ccc(F)cc2)c(C)n1
InChIInChI=1S/C19H16ClFN2O3S/c1-12-16(13-3-6-15(21)7-4-13)8-10-19(22-12)23-27(24,25)18-11-14(20)5-9-17(18)26-2/h3-11H,1-2H3,(H,22,23)
InChIKeyBSDPRWKFLQPWOH-UHFFFAOYSA-N
XLogP4.66
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.87
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[5-(4-fluorophenyl)-6-methyl-2-pyridinyl]-2-methoxybenzenesulfonamide?
The IUPAC name of 5-chloro-N-[5-(4-fluorophenyl)-6-methyl-2-pyridinyl]-2-methoxybenzenesulfonamide (CID 11625623) is 5-chloro-N-[5-(4-fluorophenyl)-6-methyl-2-pyridinyl]-2-methoxybenzenesulfonamide.
What is the SMILES notation for 5-chloro-N-[5-(4-fluorophenyl)-6-methyl-2-pyridinyl]-2-methoxybenzenesulfonamide?
The canonical SMILES for 5-chloro-N-[5-(4-fluorophenyl)-6-methyl-2-pyridinyl]-2-methoxybenzenesulfonamide is COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(-c2ccc(F)cc2)c(C)n1.
What is the InChIKey of 5-chloro-N-[5-(4-fluorophenyl)-6-methyl-2-pyridinyl]-2-methoxybenzenesulfonamide?
The InChIKey is BSDPRWKFLQPWOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN2O3S/c1-12-16(13-3-6-15(21)7-4-13)8-10-19(22-12)23-27(24,25)18-11-14(20)5-9-17(18)26-2/h3-11H,1-2H3,(H,22,23).
What are the key properties of 5-chloro-N-[5-(4-fluorophenyl)-6-methyl-2-pyridinyl]-2-methoxybenzenesulfonamide?
5-chloro-N-[5-(4-fluorophenyl)-6-methyl-2-pyridinyl]-2-methoxybenzenesulfonamide has a molecular weight of 406.87 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[5-(4-fluorophenyl)-6-methyl-2-pyridinyl]-2-methoxybenzenesulfonamide is sourced from PubChem (CID 11625623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).