3-[(2-fluorophenyl)sulfamoyl]-N-phenylmethoxybenzamide

C20H17FN2O4S — CID 55408815

IUPAC3-[(2-fluorophenyl)sulfamoyl]-N-phenylmethoxybenzamide
SMILESO=C(NOCc1ccccc1)c1cccc(S(=O)(=O)Nc2ccccc2F)c1
InChIInChI=1S/C20H17FN2O4S/c21-18-11-4-5-12-19(18)23-28(25,26)17-10-6-9-16(13-17)20(24)22-27-14-15-7-2-1-3-8-15/h1-13,23H,14H2,(H,22,24)
InChIKeyXGDLDLOHSXKPMT-UHFFFAOYSA-N
MW400.43 g/mol
LogP3.49
Rot. Bonds7

About 3-[(2-fluorophenyl)sulfamoyl]-N-phenylmethoxybenzamide

3-[(2-fluorophenyl)sulfamoyl]-N-phenylmethoxybenzamide (PubChem CID 55408815) has the molecular formula C20H17FN2O4S and a molecular weight of 400.43 g/mol. Its IUPAC name is 3-[(2-fluorophenyl)sulfamoyl]-N-phenylmethoxybenzamide.

Molecular Properties

Compound Name3-[(2-fluorophenyl)sulfamoyl]-N-phenylmethoxybenzamide
PubChem CID55408815
Molecular FormulaC20H17FN2O4S
Molecular Weight400.43 g/mol
Exact Mass400.09
IUPAC Name3-[(2-fluorophenyl)sulfamoyl]-N-phenylmethoxybenzamide
SMILESO=C(NOCc1ccccc1)c1cccc(S(=O)(=O)Nc2ccccc2F)c1
InChIInChI=1S/C20H17FN2O4S/c21-18-11-4-5-12-19(18)23-28(25,26)17-10-6-9-16(13-17)20(24)22-27-14-15-7-2-1-3-8-15/h1-13,23H,14H2,(H,22,24)
InChIKeyXGDLDLOHSXKPMT-UHFFFAOYSA-N
XLogP3.49
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.43
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[(4-bromophenyl)sulfamoyl]-N-phenylmethoxybenzamide
CID 51476076
N-[4-(2-amino-2-oxoethyl)phenyl]-3-[(2-fluorophenyl)sulfamoyl]benzamide
CID 31855089
3-[(2-fluorophenyl)sulfamoyl]-N-(1-hydroxypropan-2-yl)benzamide
CID 78856698
N-(2-ethoxyphenyl)-3-[(2-fluorophenyl)sulfamoyl]benzamide
CID 37311937
3-[(2-fluorophenyl)sulfamoyl]-N-[(2R)-3-methylbutan-2-yl]benzamide
CID 40790769
3-[(2-fluorophenyl)sulfamoyl]-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 40790771
4-(benzenesulfonamido)-N-phenylmethoxybenzamide
CID 18129482
N-[2-(ethylamino)-2-oxoethyl]-3-[(2-fluorophenyl)sulfamoyl]benzamide
CID 18145874
3-[(4-bromophenyl)sulfonylamino]-N-phenylmethoxybenzamide
CID 26372769
N-[(3-fluoro-4-methylphenyl)methyl]-3-[(2-fluorophenyl)sulfamoyl]benzamide
CID 34485319
3-[(2-fluorophenyl)sulfamoyl]-N-(4-iodophenyl)benzamide
CID 42992510
N-(4-aminocyclohexyl)-3-[(2-fluorophenyl)sulfamoyl]benzamide
CID 119476348

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorophenyl)sulfamoyl]-N-phenylmethoxybenzamide?
The IUPAC name of 3-[(2-fluorophenyl)sulfamoyl]-N-phenylmethoxybenzamide (CID 55408815) is 3-[(2-fluorophenyl)sulfamoyl]-N-phenylmethoxybenzamide.
What is the SMILES notation for 3-[(2-fluorophenyl)sulfamoyl]-N-phenylmethoxybenzamide?
The canonical SMILES for 3-[(2-fluorophenyl)sulfamoyl]-N-phenylmethoxybenzamide is O=C(NOCc1ccccc1)c1cccc(S(=O)(=O)Nc2ccccc2F)c1.
What is the InChIKey of 3-[(2-fluorophenyl)sulfamoyl]-N-phenylmethoxybenzamide?
The InChIKey is XGDLDLOHSXKPMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O4S/c21-18-11-4-5-12-19(18)23-28(25,26)17-10-6-9-16(13-17)20(24)22-27-14-15-7-2-1-3-8-15/h1-13,23H,14H2,(H,22,24).
What are the key properties of 3-[(2-fluorophenyl)sulfamoyl]-N-phenylmethoxybenzamide?
3-[(2-fluorophenyl)sulfamoyl]-N-phenylmethoxybenzamide has a molecular weight of 400.43 g/mol, XLogP of 3.49, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluorophenyl)sulfamoyl]-N-phenylmethoxybenzamide is sourced from PubChem (CID 55408815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).