N-[2,4-difluoro-3-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenyl]-2,5-difluorobenzenesulfonamide

C21H14F4N4O2S — CID 44622139

IUPACN-[2,4-difluoro-3-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenyl]-2,5-difluorobenzenesulfonamide
SMILESCn1cc(-c2ccncc2)c(-c2c(F)ccc(NS(=O)(=O)c3cc(F)ccc3F)c2F)n1
InChIInChI=1S/C21H14F4N4O2S/c1-29-11-14(12-6-8-26-9-7-12)21(27-29)19-16(24)4-5-17(20(19)25)28-32(30,31)18-10-13(22)2-3-15(18)23/h2-11,28H,1H3
InChIKeyUFIBKLWJXAXMTJ-UHFFFAOYSA-N
MW462.43 g/mol
LogP4.51
Rot. Bonds5

About N-[2,4-difluoro-3-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenyl]-2,5-difluorobenzenesulfonamide

N-[2,4-difluoro-3-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenyl]-2,5-difluorobenzenesulfonamide (PubChem CID 44622139) has the molecular formula C21H14F4N4O2S and a molecular weight of 462.43 g/mol. Its IUPAC name is N-[2,4-difluoro-3-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenyl]-2,5-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[2,4-difluoro-3-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenyl]-2,5-difluorobenzenesulfonamide
PubChem CID44622139
Molecular FormulaC21H14F4N4O2S
Molecular Weight462.43 g/mol
Exact Mass462.08
IUPAC NameN-[2,4-difluoro-3-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenyl]-2,5-difluorobenzenesulfonamide
SMILESCn1cc(-c2ccncc2)c(-c2c(F)ccc(NS(=O)(=O)c3cc(F)ccc3F)c2F)n1
InChIInChI=1S/C21H14F4N4O2S/c1-29-11-14(12-6-8-26-9-7-12)21(27-29)19-16(24)4-5-17(20(19)25)28-32(30,31)18-10-13(22)2-3-15(18)23/h2-11,28H,1H3
InChIKeyUFIBKLWJXAXMTJ-UHFFFAOYSA-N
XLogP4.51
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.43
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2,4-difluoro-3-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenyl]-2,5-difluorobenzenesulfonamide?
The IUPAC name of N-[2,4-difluoro-3-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenyl]-2,5-difluorobenzenesulfonamide (CID 44622139) is N-[2,4-difluoro-3-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenyl]-2,5-difluorobenzenesulfonamide.
What is the SMILES notation for N-[2,4-difluoro-3-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenyl]-2,5-difluorobenzenesulfonamide?
The canonical SMILES for N-[2,4-difluoro-3-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenyl]-2,5-difluorobenzenesulfonamide is Cn1cc(-c2ccncc2)c(-c2c(F)ccc(NS(=O)(=O)c3cc(F)ccc3F)c2F)n1.
What is the InChIKey of N-[2,4-difluoro-3-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenyl]-2,5-difluorobenzenesulfonamide?
The InChIKey is UFIBKLWJXAXMTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F4N4O2S/c1-29-11-14(12-6-8-26-9-7-12)21(27-29)19-16(24)4-5-17(20(19)25)28-32(30,31)18-10-13(22)2-3-15(18)23/h2-11,28H,1H3.
What are the key properties of N-[2,4-difluoro-3-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenyl]-2,5-difluorobenzenesulfonamide?
N-[2,4-difluoro-3-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenyl]-2,5-difluorobenzenesulfonamide has a molecular weight of 462.43 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,4-difluoro-3-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenyl]-2,5-difluorobenzenesulfonamide is sourced from PubChem (CID 44622139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).