4-fluoro-N-(6-pyrazol-1-ylpyrimidin-4-yl)benzenesulfonamide

C13H10FN5O2S — CID 121135011

IUPAC4-fluoro-N-(6-pyrazol-1-ylpyrimidin-4-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1cc(-n2cccn2)ncn1)c1ccc(F)cc1
InChIInChI=1S/C13H10FN5O2S/c14-10-2-4-11(5-3-10)22(20,21)18-12-8-13(16-9-15-12)19-7-1-6-17-19/h1-9H,(H,15,16,18)
InChIKeyRQFJSRHYMGDFJI-UHFFFAOYSA-N
MW319.32 g/mol
LogP1.60
Rot. Bonds4

About 4-fluoro-N-(6-pyrazol-1-ylpyrimidin-4-yl)benzenesulfonamide

4-fluoro-N-(6-pyrazol-1-ylpyrimidin-4-yl)benzenesulfonamide (PubChem CID 121135011) has the molecular formula C13H10FN5O2S and a molecular weight of 319.32 g/mol. Its IUPAC name is 4-fluoro-N-(6-pyrazol-1-ylpyrimidin-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-(6-pyrazol-1-ylpyrimidin-4-yl)benzenesulfonamide
PubChem CID121135011
Molecular FormulaC13H10FN5O2S
Molecular Weight319.32 g/mol
Exact Mass319.05
IUPAC Name4-fluoro-N-(6-pyrazol-1-ylpyrimidin-4-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1cc(-n2cccn2)ncn1)c1ccc(F)cc1
InChIInChI=1S/C13H10FN5O2S/c14-10-2-4-11(5-3-10)22(20,21)18-12-8-13(16-9-15-12)19-7-1-6-17-19/h1-9H,(H,15,16,18)
InChIKeyRQFJSRHYMGDFJI-UHFFFAOYSA-N
XLogP1.60
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6-pyrazol-1-ylpyrimidin-4-yl)naphthalene-2-sulfonamide
CID 121135030
N-(6-pyrazol-1-ylpyrimidin-4-yl)pyridine-3-sulfonamide
CID 121135032
N-(6-pyrazol-1-ylpyrimidin-4-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 121135031
3-methoxy-N-(6-pyrazol-1-ylpyrimidin-4-yl)benzenesulfonamide
CID 121135064
4-pyrazol-1-yl-N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide
CID 122290772
4-(dimethylsulfamoylamino)-6-pyrazol-1-ylpyrimidine
CID 121134990
5-chloro-2-methyl-N-(6-pyrazol-1-ylpyrimidin-4-yl)benzenesulfonamide
CID 121135065
3,4-difluoro-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]benzenesulfonamide
CID 122309872
4-chloro-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]benzenesulfonamide
CID 122309687
4-fluoro-N-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 121135423
4-propyl-N-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]benzenesulfonamide
CID 121135484
N-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]-4-phenylbenzenesulfonamide
CID 121135336

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(6-pyrazol-1-ylpyrimidin-4-yl)benzenesulfonamide?
The IUPAC name of 4-fluoro-N-(6-pyrazol-1-ylpyrimidin-4-yl)benzenesulfonamide (CID 121135011) is 4-fluoro-N-(6-pyrazol-1-ylpyrimidin-4-yl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-(6-pyrazol-1-ylpyrimidin-4-yl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-(6-pyrazol-1-ylpyrimidin-4-yl)benzenesulfonamide is O=S(=O)(Nc1cc(-n2cccn2)ncn1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-(6-pyrazol-1-ylpyrimidin-4-yl)benzenesulfonamide?
The InChIKey is RQFJSRHYMGDFJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN5O2S/c14-10-2-4-11(5-3-10)22(20,21)18-12-8-13(16-9-15-12)19-7-1-6-17-19/h1-9H,(H,15,16,18).
What are the key properties of 4-fluoro-N-(6-pyrazol-1-ylpyrimidin-4-yl)benzenesulfonamide?
4-fluoro-N-(6-pyrazol-1-ylpyrimidin-4-yl)benzenesulfonamide has a molecular weight of 319.32 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(6-pyrazol-1-ylpyrimidin-4-yl)benzenesulfonamide is sourced from PubChem (CID 121135011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).