2-fluoro-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]benzamide

C18H19FN2O4S — CID 3158263

IUPAC2-fluoro-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)NCC2CCCO2)cc1)c1ccccc1F
InChIInChI=1S/C18H19FN2O4S/c19-17-6-2-1-5-16(17)18(22)21-13-7-9-15(10-8-13)26(23,24)20-12-14-4-3-11-25-14/h1-2,5-10,14,20H,3-4,11-12H2,(H,21,22)
InChIKeyNIRSXDJGQRURCT-UHFFFAOYSA-N
MW378.43 g/mol
LogP2.54
Rot. Bonds6

About 2-fluoro-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]benzamide

2-fluoro-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]benzamide (PubChem CID 3158263) has the molecular formula C18H19FN2O4S and a molecular weight of 378.43 g/mol. Its IUPAC name is 2-fluoro-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]benzamide
PubChem CID3158263
Molecular FormulaC18H19FN2O4S
Molecular Weight378.43 g/mol
Exact Mass378.10
IUPAC Name2-fluoro-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)NCC2CCCO2)cc1)c1ccccc1F
InChIInChI=1S/C18H19FN2O4S/c19-17-6-2-1-5-16(17)18(22)21-13-7-9-15(10-8-13)26(23,24)20-12-14-4-3-11-25-14/h1-2,5-10,14,20H,3-4,11-12H2,(H,21,22)
InChIKeyNIRSXDJGQRURCT-UHFFFAOYSA-N
XLogP2.54
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]benzamide?
The IUPAC name of 2-fluoro-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]benzamide (CID 3158263) is 2-fluoro-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]benzamide?
The canonical SMILES for 2-fluoro-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]benzamide is O=C(Nc1ccc(S(=O)(=O)NCC2CCCO2)cc1)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]benzamide?
The InChIKey is NIRSXDJGQRURCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O4S/c19-17-6-2-1-5-16(17)18(22)21-13-7-9-15(10-8-13)26(23,24)20-12-14-4-3-11-25-14/h1-2,5-10,14,20H,3-4,11-12H2,(H,21,22).
What are the key properties of 2-fluoro-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]benzamide?
2-fluoro-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]benzamide has a molecular weight of 378.43 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]benzamide is sourced from PubChem (CID 3158263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).