4-fluoro-N-pyrimidin-2-ylbenzenesulfonamide

C10H8FN3O2S — CID 669150

IUPAC4-fluoro-N-pyrimidin-2-ylbenzenesulfonamide
SMILESO=S(=O)(Nc1ncccn1)c1ccc(F)cc1
InChIInChI=1S/C10H8FN3O2S/c11-8-2-4-9(5-3-8)17(15,16)14-10-12-6-1-7-13-10/h1-7H,(H,12,13,14)
InChIKeyKEKYMYSAEWTOIF-UHFFFAOYSA-N
MW253.26 g/mol
LogP1.42
Rot. Bonds3

About 4-fluoro-N-pyrimidin-2-ylbenzenesulfonamide

4-fluoro-N-pyrimidin-2-ylbenzenesulfonamide (PubChem CID 669150) has the molecular formula C10H8FN3O2S and a molecular weight of 253.26 g/mol. Its IUPAC name is 4-fluoro-N-pyrimidin-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-pyrimidin-2-ylbenzenesulfonamide
PubChem CID669150
Molecular FormulaC10H8FN3O2S
Molecular Weight253.26 g/mol
Exact Mass253.03
IUPAC Name4-fluoro-N-pyrimidin-2-ylbenzenesulfonamide
SMILESO=S(=O)(Nc1ncccn1)c1ccc(F)cc1
InChIInChI=1S/C10H8FN3O2S/c11-8-2-4-9(5-3-8)17(15,16)14-10-12-6-1-7-13-10/h1-7H,(H,12,13,14)
InChIKeyKEKYMYSAEWTOIF-UHFFFAOYSA-N
XLogP1.42
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-fluorophenyl)sulfonylamino]-N-pyrimidin-2-ylbenzenesulfonamide
CID 1164234
4-chloro-N-pyrimidin-2-ylbenzenesulfonamide
CID 935725
silver 4-amino-N-pyrimidin-2-ylbenzenesulfonamide
CID 6711387
bis(4-amino-N-pyrimidin-2-ylbenzenesulfonamide) dichloride
CID 18407969
4-[2-(4-fluorophenoxy)ethylsulfonylamino]-N-pyrimidin-2-ylbenzenesulfonamide
CID 90518562
4-tert-butyl-N-pyrimidin-2-ylbenzenesulfonamide
CID 19683562
4-(methylideneamino)-N-pyrimidin-2-ylbenzenesulfonamide
CID 66656852
N-(2-chloro-3-pyridinyl)-4-fluorobenzenesulfonamide
CID 2169091
2,5-difluoro-N-pyrimidin-2-ylbenzenesulfonamide
CID 6465175
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
4-(1-aminoethyl)-N-pyrimidin-2-ylbenzenesulfonamide
CID 43111211

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-pyrimidin-2-ylbenzenesulfonamide?
The IUPAC name of 4-fluoro-N-pyrimidin-2-ylbenzenesulfonamide (CID 669150) is 4-fluoro-N-pyrimidin-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-pyrimidin-2-ylbenzenesulfonamide?
The canonical SMILES for 4-fluoro-N-pyrimidin-2-ylbenzenesulfonamide is O=S(=O)(Nc1ncccn1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-pyrimidin-2-ylbenzenesulfonamide?
The InChIKey is KEKYMYSAEWTOIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FN3O2S/c11-8-2-4-9(5-3-8)17(15,16)14-10-12-6-1-7-13-10/h1-7H,(H,12,13,14).
What are the key properties of 4-fluoro-N-pyrimidin-2-ylbenzenesulfonamide?
4-fluoro-N-pyrimidin-2-ylbenzenesulfonamide has a molecular weight of 253.26 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-pyrimidin-2-ylbenzenesulfonamide is sourced from PubChem (CID 669150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).