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

C24H20F4N4O2S — CID 44622143

IUPACN-[2,4-difluoro-3-[1-(2-methylpropyl)-4-pyridin-4-ylpyrazol-3-yl]phenyl]-2,5-difluorobenzenesulfonamide
SMILESCC(C)Cn1cc(-c2ccncc2)c(-c2c(F)ccc(NS(=O)(=O)c3cc(F)ccc3F)c2F)n1
InChIInChI=1S/C24H20F4N4O2S/c1-14(2)12-32-13-17(15-7-9-29-10-8-15)24(30-32)22-19(27)5-6-20(23(22)28)31-35(33,34)21-11-16(25)3-4-18(21)26/h3-11,13-14,31H,12H2,1-2H3
InChIKeyFPAWFGCEVNXWPZ-UHFFFAOYSA-N
MW504.51 g/mol
LogP5.63
Rot. Bonds7

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

N-[2,4-difluoro-3-[1-(2-methylpropyl)-4-pyridin-4-ylpyrazol-3-yl]phenyl]-2,5-difluorobenzenesulfonamide (PubChem CID 44622143) has the molecular formula C24H20F4N4O2S and a molecular weight of 504.51 g/mol. Its IUPAC name is N-[2,4-difluoro-3-[1-(2-methylpropyl)-4-pyridin-4-ylpyrazol-3-yl]phenyl]-2,5-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[2,4-difluoro-3-[1-(2-methylpropyl)-4-pyridin-4-ylpyrazol-3-yl]phenyl]-2,5-difluorobenzenesulfonamide
PubChem CID44622143
Molecular FormulaC24H20F4N4O2S
Molecular Weight504.51 g/mol
Exact Mass504.12
IUPAC NameN-[2,4-difluoro-3-[1-(2-methylpropyl)-4-pyridin-4-ylpyrazol-3-yl]phenyl]-2,5-difluorobenzenesulfonamide
SMILESCC(C)Cn1cc(-c2ccncc2)c(-c2c(F)ccc(NS(=O)(=O)c3cc(F)ccc3F)c2F)n1
InChIInChI=1S/C24H20F4N4O2S/c1-14(2)12-32-13-17(15-7-9-29-10-8-15)24(30-32)22-19(27)5-6-20(23(22)28)31-35(33,34)21-11-16(25)3-4-18(21)26/h3-11,13-14,31H,12H2,1-2H3
InChIKeyFPAWFGCEVNXWPZ-UHFFFAOYSA-N
XLogP5.63
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.51
LogP ≤ 55.63
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-(2-methylpropyl)-4-pyridin-4-ylpyrazol-3-yl]phenyl]-2,5-difluorobenzenesulfonamide?
The IUPAC name of N-[2,4-difluoro-3-[1-(2-methylpropyl)-4-pyridin-4-ylpyrazol-3-yl]phenyl]-2,5-difluorobenzenesulfonamide (CID 44622143) is N-[2,4-difluoro-3-[1-(2-methylpropyl)-4-pyridin-4-ylpyrazol-3-yl]phenyl]-2,5-difluorobenzenesulfonamide.
What is the SMILES notation for N-[2,4-difluoro-3-[1-(2-methylpropyl)-4-pyridin-4-ylpyrazol-3-yl]phenyl]-2,5-difluorobenzenesulfonamide?
The canonical SMILES for N-[2,4-difluoro-3-[1-(2-methylpropyl)-4-pyridin-4-ylpyrazol-3-yl]phenyl]-2,5-difluorobenzenesulfonamide is CC(C)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-(2-methylpropyl)-4-pyridin-4-ylpyrazol-3-yl]phenyl]-2,5-difluorobenzenesulfonamide?
The InChIKey is FPAWFGCEVNXWPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F4N4O2S/c1-14(2)12-32-13-17(15-7-9-29-10-8-15)24(30-32)22-19(27)5-6-20(23(22)28)31-35(33,34)21-11-16(25)3-4-18(21)26/h3-11,13-14,31H,12H2,1-2H3.
What are the key properties of N-[2,4-difluoro-3-[1-(2-methylpropyl)-4-pyridin-4-ylpyrazol-3-yl]phenyl]-2,5-difluorobenzenesulfonamide?
N-[2,4-difluoro-3-[1-(2-methylpropyl)-4-pyridin-4-ylpyrazol-3-yl]phenyl]-2,5-difluorobenzenesulfonamide has a molecular weight of 504.51 g/mol, XLogP of 5.63, 7 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-(2-methylpropyl)-4-pyridin-4-ylpyrazol-3-yl]phenyl]-2,5-difluorobenzenesulfonamide is sourced from PubChem (CID 44622143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).