N-[5-(2,4-dichlorophenyl)-6-methyl-2-pyridinyl]-4-fluorobenzenesulfonamide

C18H13Cl2FN2O2S — CID 11575135

IUPACN-[5-(2,4-dichlorophenyl)-6-methyl-2-pyridinyl]-4-fluorobenzenesulfonamide
SMILESCc1nc(NS(=O)(=O)c2ccc(F)cc2)ccc1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C18H13Cl2FN2O2S/c1-11-15(16-7-2-12(19)10-17(16)20)8-9-18(22-11)23-26(24,25)14-5-3-13(21)4-6-14/h2-10H,1H3,(H,22,23)
InChIKeyUTVORWOAGGFECS-UHFFFAOYSA-N
MW411.29 g/mol
LogP5.30
Rot. Bonds4

About N-[5-(2,4-dichlorophenyl)-6-methyl-2-pyridinyl]-4-fluorobenzenesulfonamide

N-[5-(2,4-dichlorophenyl)-6-methyl-2-pyridinyl]-4-fluorobenzenesulfonamide (PubChem CID 11575135) has the molecular formula C18H13Cl2FN2O2S and a molecular weight of 411.29 g/mol. Its IUPAC name is N-[5-(2,4-dichlorophenyl)-6-methyl-2-pyridinyl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[5-(2,4-dichlorophenyl)-6-methyl-2-pyridinyl]-4-fluorobenzenesulfonamide
PubChem CID11575135
Molecular FormulaC18H13Cl2FN2O2S
Molecular Weight411.29 g/mol
Exact Mass410.01
IUPAC NameN-[5-(2,4-dichlorophenyl)-6-methyl-2-pyridinyl]-4-fluorobenzenesulfonamide
SMILESCc1nc(NS(=O)(=O)c2ccc(F)cc2)ccc1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C18H13Cl2FN2O2S/c1-11-15(16-7-2-12(19)10-17(16)20)8-9-18(22-11)23-26(24,25)14-5-3-13(21)4-6-14/h2-10H,1H3,(H,22,23)
InChIKeyUTVORWOAGGFECS-UHFFFAOYSA-N
XLogP5.30
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.29
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2,4-dichlorophenyl)-6-methyl-2-pyridinyl]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[5-(2,4-dichlorophenyl)-6-methyl-2-pyridinyl]-4-fluorobenzenesulfonamide (CID 11575135) is N-[5-(2,4-dichlorophenyl)-6-methyl-2-pyridinyl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[5-(2,4-dichlorophenyl)-6-methyl-2-pyridinyl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[5-(2,4-dichlorophenyl)-6-methyl-2-pyridinyl]-4-fluorobenzenesulfonamide is Cc1nc(NS(=O)(=O)c2ccc(F)cc2)ccc1-c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[5-(2,4-dichlorophenyl)-6-methyl-2-pyridinyl]-4-fluorobenzenesulfonamide?
The InChIKey is UTVORWOAGGFECS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2FN2O2S/c1-11-15(16-7-2-12(19)10-17(16)20)8-9-18(22-11)23-26(24,25)14-5-3-13(21)4-6-14/h2-10H,1H3,(H,22,23).
What are the key properties of N-[5-(2,4-dichlorophenyl)-6-methyl-2-pyridinyl]-4-fluorobenzenesulfonamide?
N-[5-(2,4-dichlorophenyl)-6-methyl-2-pyridinyl]-4-fluorobenzenesulfonamide has a molecular weight of 411.29 g/mol, XLogP of 5.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,4-dichlorophenyl)-6-methyl-2-pyridinyl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 11575135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).