4-[(4-fluorophenyl)sulfamoyl]-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]benzamide

C22H21FN2O5S — CID 55655448

IUPAC4-[(4-fluorophenyl)sulfamoyl]-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]benzamide
SMILESCOc1ccc(C(O)CNC(=O)c2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)cc1
InChIInChI=1S/C22H21FN2O5S/c1-30-19-10-2-15(3-11-19)21(26)14-24-22(27)16-4-12-20(13-5-16)31(28,29)25-18-8-6-17(23)7-9-18/h2-13,21,25-26H,14H2,1H3,(H,24,27)
InChIKeyDFBRUBRMGKBPKS-UHFFFAOYSA-N
MW444.48 g/mol
LogP3.10
Rot. Bonds8

About 4-[(4-fluorophenyl)sulfamoyl]-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]benzamide

4-[(4-fluorophenyl)sulfamoyl]-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]benzamide (PubChem CID 55655448) has the molecular formula C22H21FN2O5S and a molecular weight of 444.48 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)sulfamoyl]-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-[(4-fluorophenyl)sulfamoyl]-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]benzamide
PubChem CID55655448
Molecular FormulaC22H21FN2O5S
Molecular Weight444.48 g/mol
Exact Mass444.12
IUPAC Name4-[(4-fluorophenyl)sulfamoyl]-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]benzamide
SMILESCOc1ccc(C(O)CNC(=O)c2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)cc1
InChIInChI=1S/C22H21FN2O5S/c1-30-19-10-2-15(3-11-19)21(26)14-24-22(27)16-4-12-20(13-5-16)31(28,29)25-18-8-6-17(23)7-9-18/h2-13,21,25-26H,14H2,1H3,(H,24,27)
InChIKeyDFBRUBRMGKBPKS-UHFFFAOYSA-N
XLogP3.10
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.48
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-N-[(2R)-2-hydroxy-2-(4-methoxyphenyl)ethyl]benzamide
CID 38800266
4-[(4-fluorophenyl)sulfonylamino]-N-[(2R)-2-phenylpropyl]benzamide
CID 9164346
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-4-[(4-fluoro-3-methylphenyl)sulfonylamino]benzamide
CID 24544277
N-[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-4-[(4-fluoro-3-methylphenyl)sulfonylamino]benzamide
CID 25335428
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-4-methylbenzamide
CID 110889479
N-[1-(4-methoxyphenyl)ethyl]-4-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 132672025
4-[(4-methoxyphenyl)sulfamoyl]-N-[3-(methylamino)propyl]benzamide
CID 119431352
4-fluoro-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]benzamide
CID 40718070
N-[2-[di(propan-2-yl)amino]ethyl]-4-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 25466941
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzamide
CID 55347598
3-[(4-fluorophenyl)sulfamoyl]-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 27771815
4-[(Z)-N-(4-fluoroanilino)-C-methylcarbonimidoyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 7950665

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)sulfamoyl]-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]benzamide?
The IUPAC name of 4-[(4-fluorophenyl)sulfamoyl]-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]benzamide (CID 55655448) is 4-[(4-fluorophenyl)sulfamoyl]-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]benzamide.
What is the SMILES notation for 4-[(4-fluorophenyl)sulfamoyl]-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]benzamide?
The canonical SMILES for 4-[(4-fluorophenyl)sulfamoyl]-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]benzamide is COc1ccc(C(O)CNC(=O)c2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)cc1.
What is the InChIKey of 4-[(4-fluorophenyl)sulfamoyl]-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]benzamide?
The InChIKey is DFBRUBRMGKBPKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O5S/c1-30-19-10-2-15(3-11-19)21(26)14-24-22(27)16-4-12-20(13-5-16)31(28,29)25-18-8-6-17(23)7-9-18/h2-13,21,25-26H,14H2,1H3,(H,24,27).
What are the key properties of 4-[(4-fluorophenyl)sulfamoyl]-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]benzamide?
4-[(4-fluorophenyl)sulfamoyl]-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]benzamide has a molecular weight of 444.48 g/mol, XLogP of 3.10, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)sulfamoyl]-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]benzamide is sourced from PubChem (CID 55655448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).