3-fluoro-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide

C17H13FN4O3S — CID 2521510

IUPAC3-fluoro-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1cccc(F)c1
InChIInChI=1S/C17H13FN4O3S/c18-13-4-1-3-12(11-13)16(23)21-14-5-7-15(8-6-14)26(24,25)22-17-19-9-2-10-20-17/h1-11H,(H,21,23)(H,19,20,22)
InChIKeyTZANHCUGGQHQBK-UHFFFAOYSA-N
MW372.38 g/mol
LogP2.67
Rot. Bonds5

About 3-fluoro-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide

3-fluoro-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide (PubChem CID 2521510) has the molecular formula C17H13FN4O3S and a molecular weight of 372.38 g/mol. Its IUPAC name is 3-fluoro-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
PubChem CID2521510
Molecular FormulaC17H13FN4O3S
Molecular Weight372.38 g/mol
Exact Mass372.07
IUPAC Name3-fluoro-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1cccc(F)c1
InChIInChI=1S/C17H13FN4O3S/c18-13-4-1-3-12(11-13)16(23)21-14-5-7-15(8-6-14)26(24,25)22-17-19-9-2-10-20-17/h1-11H,(H,21,23)(H,19,20,22)
InChIKeyTZANHCUGGQHQBK-UHFFFAOYSA-N
XLogP2.67
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,3,4,5,6-pentafluoro-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
CID 2169475
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-3-fluorobenzamide
CID 94783605
N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-3-fluorobenzamide
CID 55865230
3-(propanoylamino)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
CID 6493247
3,5-dimethyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
CID 2597997
3,4-dimethoxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
CID 1084470
N-[4-[[(2S)-butan-2-yl]sulfamoyl]phenyl]-3-fluorobenzamide
CID 7333137
N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 1164335
N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-3-carboxamide
CID 674488
4-(dimethylsulfamoyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
CID 4671821
N-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamoyl]benzamide
CID 1179236
6-oxo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1H-pyridine-3-carboxamide
CID 2121261

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide?
The IUPAC name of 3-fluoro-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide (CID 2521510) is 3-fluoro-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide?
The canonical SMILES for 3-fluoro-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide is O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide?
The InChIKey is TZANHCUGGQHQBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN4O3S/c18-13-4-1-3-12(11-13)16(23)21-14-5-7-15(8-6-14)26(24,25)22-17-19-9-2-10-20-17/h1-11H,(H,21,23)(H,19,20,22).
What are the key properties of 3-fluoro-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide?
3-fluoro-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide has a molecular weight of 372.38 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide is sourced from PubChem (CID 2521510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).