3-[(4-fluorophenyl)sulfamoyl]-N-[3-(pyridin-2-ylmethoxy)phenyl]benzamide

C25H20FN3O4S — CID 38669447

IUPAC3-[(4-fluorophenyl)sulfamoyl]-N-[3-(pyridin-2-ylmethoxy)phenyl]benzamide
SMILESO=C(Nc1cccc(OCc2ccccn2)c1)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1
InChIInChI=1S/C25H20FN3O4S/c26-19-10-12-20(13-11-19)29-34(31,32)24-9-3-5-18(15-24)25(30)28-21-7-4-8-23(16-21)33-17-22-6-1-2-14-27-22/h1-16,29H,17H2,(H,28,30)
InChIKeyKEARMDLDWKHXDT-UHFFFAOYSA-N
MW477.52 g/mol
LogP4.85
Rot. Bonds8

About 3-[(4-fluorophenyl)sulfamoyl]-N-[3-(pyridin-2-ylmethoxy)phenyl]benzamide

3-[(4-fluorophenyl)sulfamoyl]-N-[3-(pyridin-2-ylmethoxy)phenyl]benzamide (PubChem CID 38669447) has the molecular formula C25H20FN3O4S and a molecular weight of 477.52 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)sulfamoyl]-N-[3-(pyridin-2-ylmethoxy)phenyl]benzamide.

Molecular Properties

Compound Name3-[(4-fluorophenyl)sulfamoyl]-N-[3-(pyridin-2-ylmethoxy)phenyl]benzamide
PubChem CID38669447
Molecular FormulaC25H20FN3O4S
Molecular Weight477.52 g/mol
Exact Mass477.12
IUPAC Name3-[(4-fluorophenyl)sulfamoyl]-N-[3-(pyridin-2-ylmethoxy)phenyl]benzamide
SMILESO=C(Nc1cccc(OCc2ccccn2)c1)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1
InChIInChI=1S/C25H20FN3O4S/c26-19-10-12-20(13-11-19)29-34(31,32)24-9-3-5-18(15-24)25(30)28-21-7-4-8-23(16-21)33-17-22-6-1-2-14-27-22/h1-16,29H,17H2,(H,28,30)
InChIKeyKEARMDLDWKHXDT-UHFFFAOYSA-N
XLogP4.85
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.52
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-phenylmethoxy-N-[3-(pyridin-2-ylmethoxy)phenyl]benzamide
CID 33498503
4-[[3-(pyridin-2-ylmethoxy)phenyl]sulfamoyl]benzoic acid
CID 55645126
3-[(4-fluorophenyl)sulfamoyl]-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]benzamide
CID 55855139
4-(tert-butylsulfamoyl)-N-[3-(pyridin-2-ylmethoxy)phenyl]benzamide
CID 33499844
3-[(4-fluorophenyl)sulfamoyl]-N-(2-phenylpyrimidin-5-yl)benzamide
CID 134056280
3-[(4-fluorophenyl)sulfamoyl]-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide
CID 55858730
4-phenyl-N-[3-(pyridin-2-ylmethoxy)phenyl]benzamide
CID 38670554
N-(4-fluorophenyl)-3-[(4-iodophenyl)sulfamoyl]benzamide
CID 1337540
N,N-diethyl-3-[[3-[(4-fluorophenyl)sulfamoyl]benzoyl]amino]benzamide
CID 26712749
3,4-dimethoxy-N-[3-(pyridin-2-ylmethoxy)phenyl]benzenesulfonamide
CID 43069653
3-[(4-fluorophenyl)sulfamoyl]-N-(1-pyridin-2-ylethyl)benzamide
CID 47005486
N-(4-ethoxyphenyl)-3-[[(4-fluorobenzoyl)amino]carbamoyl]benzenesulfonamide
CID 22109353

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)sulfamoyl]-N-[3-(pyridin-2-ylmethoxy)phenyl]benzamide?
The IUPAC name of 3-[(4-fluorophenyl)sulfamoyl]-N-[3-(pyridin-2-ylmethoxy)phenyl]benzamide (CID 38669447) is 3-[(4-fluorophenyl)sulfamoyl]-N-[3-(pyridin-2-ylmethoxy)phenyl]benzamide.
What is the SMILES notation for 3-[(4-fluorophenyl)sulfamoyl]-N-[3-(pyridin-2-ylmethoxy)phenyl]benzamide?
The canonical SMILES for 3-[(4-fluorophenyl)sulfamoyl]-N-[3-(pyridin-2-ylmethoxy)phenyl]benzamide is O=C(Nc1cccc(OCc2ccccn2)c1)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1.
What is the InChIKey of 3-[(4-fluorophenyl)sulfamoyl]-N-[3-(pyridin-2-ylmethoxy)phenyl]benzamide?
The InChIKey is KEARMDLDWKHXDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FN3O4S/c26-19-10-12-20(13-11-19)29-34(31,32)24-9-3-5-18(15-24)25(30)28-21-7-4-8-23(16-21)33-17-22-6-1-2-14-27-22/h1-16,29H,17H2,(H,28,30).
What are the key properties of 3-[(4-fluorophenyl)sulfamoyl]-N-[3-(pyridin-2-ylmethoxy)phenyl]benzamide?
3-[(4-fluorophenyl)sulfamoyl]-N-[3-(pyridin-2-ylmethoxy)phenyl]benzamide has a molecular weight of 477.52 g/mol, XLogP of 4.85, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)sulfamoyl]-N-[3-(pyridin-2-ylmethoxy)phenyl]benzamide is sourced from PubChem (CID 38669447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).