3-fluoro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide

C16H12FN3O3S2 — CID 1049819

IUPAC3-fluoro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1cccc(F)c1
InChIInChI=1S/C16H12FN3O3S2/c17-12-3-1-2-11(10-12)15(21)19-13-4-6-14(7-5-13)25(22,23)20-16-18-8-9-24-16/h1-10H,(H,18,20)(H,19,21)
InChIKeyZPSCMNOIZQJCRE-UHFFFAOYSA-N
MW377.42 g/mol
LogP3.34
Rot. Bonds5

About 3-fluoro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide

3-fluoro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide (PubChem CID 1049819) has the molecular formula C16H12FN3O3S2 and a molecular weight of 377.42 g/mol. Its IUPAC name is 3-fluoro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide
PubChem CID1049819
Molecular FormulaC16H12FN3O3S2
Molecular Weight377.42 g/mol
Exact Mass377.03
IUPAC Name3-fluoro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1cccc(F)c1
InChIInChI=1S/C16H12FN3O3S2/c17-12-3-1-2-11(10-12)15(21)19-13-4-6-14(7-5-13)25(22,23)20-16-18-8-9-24-16/h1-10H,(H,18,20)(H,19,21)
InChIKeyZPSCMNOIZQJCRE-UHFFFAOYSA-N
XLogP3.34
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide?
The IUPAC name of 3-fluoro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide (CID 1049819) is 3-fluoro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide?
The canonical SMILES for 3-fluoro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide is O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide?
The InChIKey is ZPSCMNOIZQJCRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3O3S2/c17-12-3-1-2-11(10-12)15(21)19-13-4-6-14(7-5-13)25(22,23)20-16-18-8-9-24-16/h1-10H,(H,18,20)(H,19,21).
What are the key properties of 3-fluoro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide?
3-fluoro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide has a molecular weight of 377.42 g/mol, XLogP of 3.34, 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-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide is sourced from PubChem (CID 1049819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).