3-[(4-fluorophenyl)sulfamoyl]-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]benzamide

C24H21FN4O4S — CID 55855139

IUPAC3-[(4-fluorophenyl)sulfamoyl]-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]benzamide
SMILESCn1ccnc1COc1ccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccc(F)cc3)c2)cc1
InChIInChI=1S/C24H21FN4O4S/c1-29-14-13-26-23(29)16-33-21-11-9-19(10-12-21)27-24(30)17-3-2-4-22(15-17)34(31,32)28-20-7-5-18(25)6-8-20/h2-15,28H,16H2,1H3,(H,27,30)
InChIKeyWSHDSDNTIIYBTM-UHFFFAOYSA-N
MW480.52 g/mol
LogP4.19
Rot. Bonds8

About 3-[(4-fluorophenyl)sulfamoyl]-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]benzamide

3-[(4-fluorophenyl)sulfamoyl]-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]benzamide (PubChem CID 55855139) has the molecular formula C24H21FN4O4S and a molecular weight of 480.52 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)sulfamoyl]-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]benzamide.

Molecular Properties

Compound Name3-[(4-fluorophenyl)sulfamoyl]-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]benzamide
PubChem CID55855139
Molecular FormulaC24H21FN4O4S
Molecular Weight480.52 g/mol
Exact Mass480.13
IUPAC Name3-[(4-fluorophenyl)sulfamoyl]-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]benzamide
SMILESCn1ccnc1COc1ccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccc(F)cc3)c2)cc1
InChIInChI=1S/C24H21FN4O4S/c1-29-14-13-26-23(29)16-33-21-11-9-19(10-12-21)27-24(30)17-3-2-4-22(15-17)34(31,32)28-20-7-5-18(25)6-8-20/h2-15,28H,16H2,1H3,(H,27,30)
InChIKeyWSHDSDNTIIYBTM-UHFFFAOYSA-N
XLogP4.19
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.52
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-3-(2-methylpropoxy)benzamide
CID 55766270
3-[(4-fluorophenyl)sulfamoyl]-N-[3-(pyridin-2-ylmethoxy)phenyl]benzamide
CID 38669447
N-(4-ethoxyphenyl)-3-[[(4-fluorobenzoyl)amino]carbamoyl]benzenesulfonamide
CID 22109353
N-[4-(carbamoylamino)phenyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide
CID 55793990
N-(4-fluorophenyl)-3-[(4-iodophenyl)sulfamoyl]benzamide
CID 1337540
3-[(4-cyanophenyl)sulfamoyl]-N-(4-fluorophenyl)benzamide
CID 109065822
2-fluoro-5-methyl-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]benzenesulfonamide
CID 75462718
3,5-dichloro-4-methoxy-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]benzamide
CID 55766590
N-[4-(methylcarbamoylamino)phenyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide
CID 55736611
3-[(4-fluorophenyl)sulfamoyl]-N-(2-phenylpyrimidin-5-yl)benzamide
CID 134056280
N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide
CID 56518850
3-[(4-ethoxyphenyl)sulfamoyl]-N-(3-methyl-2-pyridinyl)benzamide
CID 35032875

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)sulfamoyl]-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]benzamide?
The IUPAC name of 3-[(4-fluorophenyl)sulfamoyl]-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]benzamide (CID 55855139) is 3-[(4-fluorophenyl)sulfamoyl]-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]benzamide.
What is the SMILES notation for 3-[(4-fluorophenyl)sulfamoyl]-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]benzamide?
The canonical SMILES for 3-[(4-fluorophenyl)sulfamoyl]-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]benzamide is Cn1ccnc1COc1ccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccc(F)cc3)c2)cc1.
What is the InChIKey of 3-[(4-fluorophenyl)sulfamoyl]-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]benzamide?
The InChIKey is WSHDSDNTIIYBTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4O4S/c1-29-14-13-26-23(29)16-33-21-11-9-19(10-12-21)27-24(30)17-3-2-4-22(15-17)34(31,32)28-20-7-5-18(25)6-8-20/h2-15,28H,16H2,1H3,(H,27,30).
What are the key properties of 3-[(4-fluorophenyl)sulfamoyl]-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]benzamide?
3-[(4-fluorophenyl)sulfamoyl]-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]benzamide has a molecular weight of 480.52 g/mol, XLogP of 4.19, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)sulfamoyl]-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]benzamide is sourced from PubChem (CID 55855139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).