2-bromo-N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide

C19H15BrN6O2S — CID 122290773

IUPAC2-bromo-N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Nc2cc(-n3cccn3)ncn2)cc1)c1ccccc1Br
InChIInChI=1S/C19H15BrN6O2S/c20-16-4-1-2-5-17(16)29(27,28)25-15-8-6-14(7-9-15)24-18-12-19(22-13-21-18)26-11-3-10-23-26/h1-13,25H,(H,21,22,24)
InChIKeyNEXGKAUMCKFIPP-UHFFFAOYSA-N
MW471.34 g/mol
LogP3.97
Rot. Bonds6

About 2-bromo-N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide

2-bromo-N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide (PubChem CID 122290773) has the molecular formula C19H15BrN6O2S and a molecular weight of 471.34 g/mol. Its IUPAC name is 2-bromo-N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide
PubChem CID122290773
Molecular FormulaC19H15BrN6O2S
Molecular Weight471.34 g/mol
Exact Mass470.02
IUPAC Name2-bromo-N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Nc2cc(-n3cccn3)ncn2)cc1)c1ccccc1Br
InChIInChI=1S/C19H15BrN6O2S/c20-16-4-1-2-5-17(16)29(27,28)25-15-8-6-14(7-9-15)24-18-12-19(22-13-21-18)26-11-3-10-23-26/h1-13,25H,(H,21,22,24)
InChIKeyNEXGKAUMCKFIPP-UHFFFAOYSA-N
XLogP3.97
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.34
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-pyrazol-1-yl-N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide
CID 122290772
5-bromo-2-ethoxy-N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide
CID 121072952
N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]-4-pyrazol-1-ylbenzenesulfonamide
CID 122291982
2-methoxy-N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]benzenesulfonamide
CID 122291987
2-fluoro-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]benzenesulfonamide
CID 16802116
2-bromo-N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]benzenesulfonamide
CID 122312181
4-fluoro-N-(6-pyrazol-1-ylpyrimidin-4-yl)benzenesulfonamide
CID 121135011
N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]-2-(trifluoromethoxy)benzenesulfonamide
CID 122291969
N-(6-pyrazol-1-ylpyrimidin-4-yl)naphthalene-2-sulfonamide
CID 121135030
5-chloro-2-methyl-N-(6-pyrazol-1-ylpyrimidin-4-yl)benzenesulfonamide
CID 121135065
2-pyrazol-1-yl-N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]acetamide
CID 122290694
2,4,5-trimethyl-N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]benzenesulfonamide
CID 121074191

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide?
The IUPAC name of 2-bromo-N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide (CID 122290773) is 2-bromo-N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide.
What is the SMILES notation for 2-bromo-N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide?
The canonical SMILES for 2-bromo-N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide is O=S(=O)(Nc1ccc(Nc2cc(-n3cccn3)ncn2)cc1)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide?
The InChIKey is NEXGKAUMCKFIPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrN6O2S/c20-16-4-1-2-5-17(16)29(27,28)25-15-8-6-14(7-9-15)24-18-12-19(22-13-21-18)26-11-3-10-23-26/h1-13,25H,(H,21,22,24).
What are the key properties of 2-bromo-N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide?
2-bromo-N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide has a molecular weight of 471.34 g/mol, XLogP of 3.97, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide is sourced from PubChem (CID 122290773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).