4-[(4-fluorophenyl)sulfonylamino]-N-pyrimidin-2-ylbenzenesulfonamide

C16H13FN4O4S2 — CID 1164234

IUPAC4-[(4-fluorophenyl)sulfonylamino]-N-pyrimidin-2-ylbenzenesulfonamide
SMILESO=S(=O)(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1ccc(F)cc1
InChIInChI=1S/C16H13FN4O4S2/c17-12-2-6-14(7-3-12)26(22,23)20-13-4-8-15(9-5-13)27(24,25)21-16-18-10-1-11-19-16/h1-11,20H,(H,18,19,21)
InChIKeySIHXBWYKQIJYKE-UHFFFAOYSA-N
MW408.44 g/mol
LogP2.22
Rot. Bonds6

About 4-[(4-fluorophenyl)sulfonylamino]-N-pyrimidin-2-ylbenzenesulfonamide

4-[(4-fluorophenyl)sulfonylamino]-N-pyrimidin-2-ylbenzenesulfonamide (PubChem CID 1164234) has the molecular formula C16H13FN4O4S2 and a molecular weight of 408.44 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)sulfonylamino]-N-pyrimidin-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-[(4-fluorophenyl)sulfonylamino]-N-pyrimidin-2-ylbenzenesulfonamide
PubChem CID1164234
Molecular FormulaC16H13FN4O4S2
Molecular Weight408.44 g/mol
Exact Mass408.04
IUPAC Name4-[(4-fluorophenyl)sulfonylamino]-N-pyrimidin-2-ylbenzenesulfonamide
SMILESO=S(=O)(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1ccc(F)cc1
InChIInChI=1S/C16H13FN4O4S2/c17-12-2-6-14(7-3-12)26(22,23)20-13-4-8-15(9-5-13)27(24,25)21-16-18-10-1-11-19-16/h1-11,20H,(H,18,19,21)
InChIKeySIHXBWYKQIJYKE-UHFFFAOYSA-N
XLogP2.22
TPSA118.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.44
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-fluoro-N-pyrimidin-2-ylbenzenesulfonamide
CID 669150
4-[2-(4-fluorophenoxy)ethylsulfonylamino]-N-pyrimidin-2-ylbenzenesulfonamide
CID 90518562
4-chloro-N-pyrimidin-2-ylbenzenesulfonamide
CID 935725
4-fluoro-N-(4-hydroxyphenyl)benzenesulfonamide
CID 764850
silver 4-amino-N-pyrimidin-2-ylbenzenesulfonamide
CID 6711387
bis(4-amino-N-pyrimidin-2-ylbenzenesulfonamide) dichloride
CID 18407969
2-(4-fluorophenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 2936144
2,3,4,5,6-pentafluoro-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
CID 2169475
N-[4-(bromomethyl)phenyl]-4-fluorobenzenesulfonamide
CID 18629013
4-ethoxy-N-(4-fluorophenyl)benzenesulfonamide
CID 848328
3-fluoro-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
CID 2521510
2,4-dimethyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzenesulfonamide
CID 19683803

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)sulfonylamino]-N-pyrimidin-2-ylbenzenesulfonamide?
The IUPAC name of 4-[(4-fluorophenyl)sulfonylamino]-N-pyrimidin-2-ylbenzenesulfonamide (CID 1164234) is 4-[(4-fluorophenyl)sulfonylamino]-N-pyrimidin-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-[(4-fluorophenyl)sulfonylamino]-N-pyrimidin-2-ylbenzenesulfonamide?
The canonical SMILES for 4-[(4-fluorophenyl)sulfonylamino]-N-pyrimidin-2-ylbenzenesulfonamide is O=S(=O)(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1ccc(F)cc1.
What is the InChIKey of 4-[(4-fluorophenyl)sulfonylamino]-N-pyrimidin-2-ylbenzenesulfonamide?
The InChIKey is SIHXBWYKQIJYKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN4O4S2/c17-12-2-6-14(7-3-12)26(22,23)20-13-4-8-15(9-5-13)27(24,25)21-16-18-10-1-11-19-16/h1-11,20H,(H,18,19,21).
What are the key properties of 4-[(4-fluorophenyl)sulfonylamino]-N-pyrimidin-2-ylbenzenesulfonamide?
4-[(4-fluorophenyl)sulfonylamino]-N-pyrimidin-2-ylbenzenesulfonamide has a molecular weight of 408.44 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)sulfonylamino]-N-pyrimidin-2-ylbenzenesulfonamide is sourced from PubChem (CID 1164234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).