3-chloro-N-[6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-2-methylbenzenesulfonamide

C19H16ClFN2O2S — CID 11603518

IUPAC3-chloro-N-[6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-2-methylbenzenesulfonamide
SMILESCc1cc(F)ccc1-c1cccc(NS(=O)(=O)c2cccc(Cl)c2C)n1
InChIInChI=1S/C19H16ClFN2O2S/c1-12-11-14(21)9-10-15(12)17-6-4-8-19(22-17)23-26(24,25)18-7-3-5-16(20)13(18)2/h3-11H,1-2H3,(H,22,23)
InChIKeyRQGKWXDOKASBCZ-UHFFFAOYSA-N
MW390.87 g/mol
LogP4.96
Rot. Bonds4

About 3-chloro-N-[6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-2-methylbenzenesulfonamide

3-chloro-N-[6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-2-methylbenzenesulfonamide (PubChem CID 11603518) has the molecular formula C19H16ClFN2O2S and a molecular weight of 390.87 g/mol. Its IUPAC name is 3-chloro-N-[6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-2-methylbenzenesulfonamide
PubChem CID11603518
Molecular FormulaC19H16ClFN2O2S
Molecular Weight390.87 g/mol
Exact Mass390.06
IUPAC Name3-chloro-N-[6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-2-methylbenzenesulfonamide
SMILESCc1cc(F)ccc1-c1cccc(NS(=O)(=O)c2cccc(Cl)c2C)n1
InChIInChI=1S/C19H16ClFN2O2S/c1-12-11-14(21)9-10-15(12)17-6-4-8-19(22-17)23-26(24,25)18-7-3-5-16(20)13(18)2/h3-11H,1-2H3,(H,22,23)
InChIKeyRQGKWXDOKASBCZ-UHFFFAOYSA-N
XLogP4.96
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.87
LogP ≤ 54.96
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-(4-fluoro-2-methylphenyl)-2-pyridinyl]-2-methylbenzenesulfonamide?
The IUPAC name of 3-chloro-N-[6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-2-methylbenzenesulfonamide (CID 11603518) is 3-chloro-N-[6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-2-methylbenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-2-methylbenzenesulfonamide?
The canonical SMILES for 3-chloro-N-[6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-2-methylbenzenesulfonamide is Cc1cc(F)ccc1-c1cccc(NS(=O)(=O)c2cccc(Cl)c2C)n1.
What is the InChIKey of 3-chloro-N-[6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-2-methylbenzenesulfonamide?
The InChIKey is RQGKWXDOKASBCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN2O2S/c1-12-11-14(21)9-10-15(12)17-6-4-8-19(22-17)23-26(24,25)18-7-3-5-16(20)13(18)2/h3-11H,1-2H3,(H,22,23).
What are the key properties of 3-chloro-N-[6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-2-methylbenzenesulfonamide?
3-chloro-N-[6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-2-methylbenzenesulfonamide has a molecular weight of 390.87 g/mol, XLogP of 4.96, 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-(4-fluoro-2-methylphenyl)-2-pyridinyl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 11603518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).