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

C18H12Cl2F2N2O2S — CID 11553722

IUPACN-[5-(2,4-dichlorophenyl)-6-methyl-2-pyridinyl]-2,4-difluorobenzenesulfonamide
SMILESCc1nc(NS(=O)(=O)c2ccc(F)cc2F)ccc1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C18H12Cl2F2N2O2S/c1-10-13(14-4-2-11(19)8-15(14)20)5-7-18(23-10)24-27(25,26)17-6-3-12(21)9-16(17)22/h2-9H,1H3,(H,23,24)
InChIKeyYCQIYTOQZUHHLC-UHFFFAOYSA-N
MW429.28 g/mol
LogP5.44
Rot. Bonds4

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

N-[5-(2,4-dichlorophenyl)-6-methyl-2-pyridinyl]-2,4-difluorobenzenesulfonamide (PubChem CID 11553722) has the molecular formula C18H12Cl2F2N2O2S and a molecular weight of 429.28 g/mol. Its IUPAC name is N-[5-(2,4-dichlorophenyl)-6-methyl-2-pyridinyl]-2,4-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[5-(2,4-dichlorophenyl)-6-methyl-2-pyridinyl]-2,4-difluorobenzenesulfonamide
PubChem CID11553722
Molecular FormulaC18H12Cl2F2N2O2S
Molecular Weight429.28 g/mol
Exact Mass428.00
IUPAC NameN-[5-(2,4-dichlorophenyl)-6-methyl-2-pyridinyl]-2,4-difluorobenzenesulfonamide
SMILESCc1nc(NS(=O)(=O)c2ccc(F)cc2F)ccc1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C18H12Cl2F2N2O2S/c1-10-13(14-4-2-11(19)8-15(14)20)5-7-18(23-10)24-27(25,26)17-6-3-12(21)9-16(17)22/h2-9H,1H3,(H,23,24)
InChIKeyYCQIYTOQZUHHLC-UHFFFAOYSA-N
XLogP5.44
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.28
LogP ≤ 55.44
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]-2,4-difluorobenzenesulfonamide?
The IUPAC name of N-[5-(2,4-dichlorophenyl)-6-methyl-2-pyridinyl]-2,4-difluorobenzenesulfonamide (CID 11553722) is N-[5-(2,4-dichlorophenyl)-6-methyl-2-pyridinyl]-2,4-difluorobenzenesulfonamide.
What is the SMILES notation for N-[5-(2,4-dichlorophenyl)-6-methyl-2-pyridinyl]-2,4-difluorobenzenesulfonamide?
The canonical SMILES for N-[5-(2,4-dichlorophenyl)-6-methyl-2-pyridinyl]-2,4-difluorobenzenesulfonamide is Cc1nc(NS(=O)(=O)c2ccc(F)cc2F)ccc1-c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[5-(2,4-dichlorophenyl)-6-methyl-2-pyridinyl]-2,4-difluorobenzenesulfonamide?
The InChIKey is YCQIYTOQZUHHLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Cl2F2N2O2S/c1-10-13(14-4-2-11(19)8-15(14)20)5-7-18(23-10)24-27(25,26)17-6-3-12(21)9-16(17)22/h2-9H,1H3,(H,23,24).
What are the key properties of N-[5-(2,4-dichlorophenyl)-6-methyl-2-pyridinyl]-2,4-difluorobenzenesulfonamide?
N-[5-(2,4-dichlorophenyl)-6-methyl-2-pyridinyl]-2,4-difluorobenzenesulfonamide has a molecular weight of 429.28 g/mol, XLogP of 5.44, 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]-2,4-difluorobenzenesulfonamide is sourced from PubChem (CID 11553722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).