N-[2,4-difluoro-3-(4-pyrimidin-4-yl-1H-pyrazol-5-yl)phenyl]-2,5-difluorobenzenesulfonamide

C19H11F4N5O2S — CID 44621869

IUPACN-[2,4-difluoro-3-(4-pyrimidin-4-yl-1H-pyrazol-5-yl)phenyl]-2,5-difluorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccc(F)c(-c2[nH]ncc2-c2ccncn2)c1F)c1cc(F)ccc1F
InChIInChI=1S/C19H11F4N5O2S/c20-10-1-2-12(21)16(7-10)31(29,30)28-15-4-3-13(22)17(18(15)23)19-11(8-26-27-19)14-5-6-24-9-25-14/h1-9,28H,(H,26,27)
InChIKeyLTEAPHVMAVHLOJ-UHFFFAOYSA-N
MW449.39 g/mol
LogP3.89
Rot. Bonds5

About N-[2,4-difluoro-3-(4-pyrimidin-4-yl-1H-pyrazol-5-yl)phenyl]-2,5-difluorobenzenesulfonamide

N-[2,4-difluoro-3-(4-pyrimidin-4-yl-1H-pyrazol-5-yl)phenyl]-2,5-difluorobenzenesulfonamide (PubChem CID 44621869) has the molecular formula C19H11F4N5O2S and a molecular weight of 449.39 g/mol. Its IUPAC name is N-[2,4-difluoro-3-(4-pyrimidin-4-yl-1H-pyrazol-5-yl)phenyl]-2,5-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[2,4-difluoro-3-(4-pyrimidin-4-yl-1H-pyrazol-5-yl)phenyl]-2,5-difluorobenzenesulfonamide
PubChem CID44621869
Molecular FormulaC19H11F4N5O2S
Molecular Weight449.39 g/mol
Exact Mass449.06
IUPAC NameN-[2,4-difluoro-3-(4-pyrimidin-4-yl-1H-pyrazol-5-yl)phenyl]-2,5-difluorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccc(F)c(-c2[nH]ncc2-c2ccncn2)c1F)c1cc(F)ccc1F
InChIInChI=1S/C19H11F4N5O2S/c20-10-1-2-12(21)16(7-10)31(29,30)28-15-4-3-13(22)17(18(15)23)19-11(8-26-27-19)14-5-6-24-9-25-14/h1-9,28H,(H,26,27)
InChIKeyLTEAPHVMAVHLOJ-UHFFFAOYSA-N
XLogP3.89
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.39
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(2-amino-1,3-thiazol-4-yl)-2,4-difluorophenyl]-2,5-difluorobenzenesulfonamide
CID 88922436
2,5-difluoro-N-(2,3,4-trifluorophenyl)benzenesulfonamide
CID 9235627
N-[2,4-difluoro-3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]-2,2,2-trifluoroethanesulfonamide
CID 44621798
N-[3-(1-ethyl-4-pyridin-4-ylpyrazol-3-yl)-2,4-difluorophenyl]-2,5-difluorobenzenesulfonamide
CID 44622209
6-[2,6-difluoro-3-[(5-fluoro-2-methyl-3-pyridinyl)sulfonylamino]phenyl]-7-fluoro-2H-indazole-3-carboxamide
CID 167251453
2,5-difluoro-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 63823168
2,5-difluoro-N-(4-phenylpyrimidin-5-yl)benzenesulfonamide
CID 75449193
N-[2,4-difluoro-3-[7-fluoro-3-(1H-imidazol-2-yl)-2H-pyrazolo[4,3-c]pyridin-6-yl]phenyl]-5-fluoro-2-methylbenzenesulfonamide
CID 155193320
N-[3-[2-tert-butyl-5-(2-chloropyrimidin-4-yl)-1,3-thiazol-4-yl]-2,4-difluorophenyl]-2,5-difluorobenzenesulfonamide
CID 86636591
N-(5-chloro-2-fluorophenyl)-2,5-difluorobenzenesulfonamide
CID 9238961
N-(2-bromo-5-fluorophenyl)-2,5-difluorobenzenesulfonamide
CID 103752869
6-[2,6-difluoro-3-[(5-fluoro-2-methoxy-3-pyridinyl)sulfonylamino]phenyl]-7-fluoro-2H-indazole-3-carboxamide
CID 167251058

Frequently Asked Questions

What is the IUPAC name of N-[2,4-difluoro-3-(4-pyrimidin-4-yl-1H-pyrazol-5-yl)phenyl]-2,5-difluorobenzenesulfonamide?
The IUPAC name of N-[2,4-difluoro-3-(4-pyrimidin-4-yl-1H-pyrazol-5-yl)phenyl]-2,5-difluorobenzenesulfonamide (CID 44621869) is N-[2,4-difluoro-3-(4-pyrimidin-4-yl-1H-pyrazol-5-yl)phenyl]-2,5-difluorobenzenesulfonamide.
What is the SMILES notation for N-[2,4-difluoro-3-(4-pyrimidin-4-yl-1H-pyrazol-5-yl)phenyl]-2,5-difluorobenzenesulfonamide?
The canonical SMILES for N-[2,4-difluoro-3-(4-pyrimidin-4-yl-1H-pyrazol-5-yl)phenyl]-2,5-difluorobenzenesulfonamide is O=S(=O)(Nc1ccc(F)c(-c2[nH]ncc2-c2ccncn2)c1F)c1cc(F)ccc1F.
What is the InChIKey of N-[2,4-difluoro-3-(4-pyrimidin-4-yl-1H-pyrazol-5-yl)phenyl]-2,5-difluorobenzenesulfonamide?
The InChIKey is LTEAPHVMAVHLOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11F4N5O2S/c20-10-1-2-12(21)16(7-10)31(29,30)28-15-4-3-13(22)17(18(15)23)19-11(8-26-27-19)14-5-6-24-9-25-14/h1-9,28H,(H,26,27).
What are the key properties of N-[2,4-difluoro-3-(4-pyrimidin-4-yl-1H-pyrazol-5-yl)phenyl]-2,5-difluorobenzenesulfonamide?
N-[2,4-difluoro-3-(4-pyrimidin-4-yl-1H-pyrazol-5-yl)phenyl]-2,5-difluorobenzenesulfonamide has a molecular weight of 449.39 g/mol, XLogP of 3.89, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,4-difluoro-3-(4-pyrimidin-4-yl-1H-pyrazol-5-yl)phenyl]-2,5-difluorobenzenesulfonamide is sourced from PubChem (CID 44621869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).