4-[[(4-fluorophenyl)sulfonylamino]methyl]-N-(2-hydroxy-2-phenylethyl)benzamide

C22H21FN2O4S — CID 42650456

IUPAC4-[[(4-fluorophenyl)sulfonylamino]methyl]-N-(2-hydroxy-2-phenylethyl)benzamide
SMILESO=C(NCC(O)c1ccccc1)c1ccc(CNS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C22H21FN2O4S/c23-19-10-12-20(13-11-19)30(28,29)25-14-16-6-8-18(9-7-16)22(27)24-15-21(26)17-4-2-1-3-5-17/h1-13,21,25-26H,14-15H2,(H,24,27)
InChIKeyGGPOEESMRLVAST-UHFFFAOYSA-N
MW428.49 g/mol
LogP2.77
Rot. Bonds8

About 4-[[(4-fluorophenyl)sulfonylamino]methyl]-N-(2-hydroxy-2-phenylethyl)benzamide

4-[[(4-fluorophenyl)sulfonylamino]methyl]-N-(2-hydroxy-2-phenylethyl)benzamide (PubChem CID 42650456) has the molecular formula C22H21FN2O4S and a molecular weight of 428.49 g/mol. Its IUPAC name is 4-[[(4-fluorophenyl)sulfonylamino]methyl]-N-(2-hydroxy-2-phenylethyl)benzamide.

Molecular Properties

Compound Name4-[[(4-fluorophenyl)sulfonylamino]methyl]-N-(2-hydroxy-2-phenylethyl)benzamide
PubChem CID42650456
Molecular FormulaC22H21FN2O4S
Molecular Weight428.49 g/mol
Exact Mass428.12
IUPAC Name4-[[(4-fluorophenyl)sulfonylamino]methyl]-N-(2-hydroxy-2-phenylethyl)benzamide
SMILESO=C(NCC(O)c1ccccc1)c1ccc(CNS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C22H21FN2O4S/c23-19-10-12-20(13-11-19)30(28,29)25-14-16-6-8-18(9-7-16)22(27)24-15-21(26)17-4-2-1-3-5-17/h1-13,21,25-26H,14-15H2,(H,24,27)
InChIKeyGGPOEESMRLVAST-UHFFFAOYSA-N
XLogP2.77
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[[(4-fluorophenyl)sulfonylamino]methyl]-N-(2-hydroxy-2-phenylethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-4-fluorobenzenesulfonamide
CID 835474
4-[4-(benzylsulfamoyl)phenyl]-N-(2-methylpropyl)benzamide
CID 20973707
N-[(4-chlorophenyl)methyl]-4-[[(4-fluorophenyl)sulfonylamino]methyl]benzamide
CID 5073710
4-[[(4-fluorophenyl)sulfonylamino]methyl]-N-(pyridin-2-ylmethyl)benzamide
CID 5073703
N-benzyl-4-[[(4-bromophenyl)sulfonylamino]methyl]benzamide
CID 15990884
N-[(4-fluorophenyl)methyl]-4-[[(4-methoxyphenyl)sulfonylamino]methyl]benzamide
CID 3311699
N-[[4-(benzylsulfamoyl)phenyl]carbamothioyl]-4-fluorobenzamide
CID 4929080
N-[(2S)-2-hydroxy-2-phenylethyl]benzamide
CID 6542363
4-[(4-fluorophenyl)sulfonylamino]-N-[(2R)-2-phenylpropyl]benzamide
CID 9164346
4-[(4-fluorophenyl)methylsulfamoyl]-N-(3-methoxypropyl)benzamide
CID 109059819
N-benzyl-4-(2-methylpropylsulfamoyl)benzamide
CID 109058915
4-(benzylsulfamoyl)-N-prop-2-enylbenzamide
CID 109058425

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-fluorophenyl)sulfonylamino]methyl]-N-(2-hydroxy-2-phenylethyl)benzamide?
The IUPAC name of 4-[[(4-fluorophenyl)sulfonylamino]methyl]-N-(2-hydroxy-2-phenylethyl)benzamide (CID 42650456) is 4-[[(4-fluorophenyl)sulfonylamino]methyl]-N-(2-hydroxy-2-phenylethyl)benzamide.
What is the SMILES notation for 4-[[(4-fluorophenyl)sulfonylamino]methyl]-N-(2-hydroxy-2-phenylethyl)benzamide?
The canonical SMILES for 4-[[(4-fluorophenyl)sulfonylamino]methyl]-N-(2-hydroxy-2-phenylethyl)benzamide is O=C(NCC(O)c1ccccc1)c1ccc(CNS(=O)(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of 4-[[(4-fluorophenyl)sulfonylamino]methyl]-N-(2-hydroxy-2-phenylethyl)benzamide?
The InChIKey is GGPOEESMRLVAST-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O4S/c23-19-10-12-20(13-11-19)30(28,29)25-14-16-6-8-18(9-7-16)22(27)24-15-21(26)17-4-2-1-3-5-17/h1-13,21,25-26H,14-15H2,(H,24,27).
What are the key properties of 4-[[(4-fluorophenyl)sulfonylamino]methyl]-N-(2-hydroxy-2-phenylethyl)benzamide?
4-[[(4-fluorophenyl)sulfonylamino]methyl]-N-(2-hydroxy-2-phenylethyl)benzamide has a molecular weight of 428.49 g/mol, XLogP of 2.77, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-fluorophenyl)sulfonylamino]methyl]-N-(2-hydroxy-2-phenylethyl)benzamide is sourced from PubChem (CID 42650456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).