4-[2-(2,3-dichlorophenyl)ethylsulfonylamino]-N-[(1R)-1-phenylethyl]benzamide

C23H22Cl2N2O3S — CID 69185833

IUPAC4-[2-(2,3-dichlorophenyl)ethylsulfonylamino]-N-[(1R)-1-phenylethyl]benzamide
SMILESC[C@@H](NC(=O)c1ccc(NS(=O)(=O)CCc2cccc(Cl)c2Cl)cc1)c1ccccc1
InChIInChI=1S/C23H22Cl2N2O3S/c1-16(17-6-3-2-4-7-17)26-23(28)19-10-12-20(13-11-19)27-31(29,30)15-14-18-8-5-9-21(24)22(18)25/h2-13,16,27H,14-15H2,1H3,(H,26,28)/t16-/m1/s1
InChIKeyQGGHWXKLAYTHAB-MRXNPFEDSA-N
MW477.41 g/mol
LogP5.47
Rot. Bonds8

About 4-[2-(2,3-dichlorophenyl)ethylsulfonylamino]-N-[(1R)-1-phenylethyl]benzamide

4-[2-(2,3-dichlorophenyl)ethylsulfonylamino]-N-[(1R)-1-phenylethyl]benzamide (PubChem CID 69185833) has the molecular formula C23H22Cl2N2O3S and a molecular weight of 477.41 g/mol. Its IUPAC name is 4-[2-(2,3-dichlorophenyl)ethylsulfonylamino]-N-[(1R)-1-phenylethyl]benzamide.

Molecular Properties

Compound Name4-[2-(2,3-dichlorophenyl)ethylsulfonylamino]-N-[(1R)-1-phenylethyl]benzamide
PubChem CID69185833
Molecular FormulaC23H22Cl2N2O3S
Molecular Weight477.41 g/mol
Exact Mass476.07
IUPAC Name4-[2-(2,3-dichlorophenyl)ethylsulfonylamino]-N-[(1R)-1-phenylethyl]benzamide
SMILESC[C@@H](NC(=O)c1ccc(NS(=O)(=O)CCc2cccc(Cl)c2Cl)cc1)c1ccccc1
InChIInChI=1S/C23H22Cl2N2O3S/c1-16(17-6-3-2-4-7-17)26-23(28)19-10-12-20(13-11-19)27-31(29,30)15-14-18-8-5-9-21(24)22(18)25/h2-13,16,27H,14-15H2,1H3,(H,26,28)/t16-/m1/s1
InChIKeyQGGHWXKLAYTHAB-MRXNPFEDSA-N
XLogP5.47
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.41
LogP ≤ 55.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(2,3-dichlorophenyl)ethylsulfonylamino]-N-[(2R)-2-hydroxy-2-phenylethyl]benzamide
CID 69182395
4-[(2,3-dichlorophenyl)methyl-methylsulfonylamino]-N-[(1S)-1-phenylethyl]benzamide
CID 69492654
4-[2-(2,3-dichlorophenyl)ethylsulfonylamino]-N-[4-(methylcarbamoylamino)butyl]benzamide
CID 69181137
N-[[4-(aminomethyl)phenyl]methyl]-4-[2-(2,3-dichlorophenyl)ethylsulfonylamino]benzamide
CID 69184891
4-[3-(2-chlorophenyl)propanoylamino]-N-(1-phenylethyl)benzamide
CID 43887660
4-acetamido-N-(1-phenylethyl)benzamide
CID 2841785
4-[(2-chlorophenyl)sulfamoyl]-N-(1-phenylethyl)benzamide
CID 55346393
4-chloro-3-[(4-methylphenyl)sulfamoyl]-N-[(1R)-1-phenylethyl]benzamide
CID 1263190
4-[(4-fluorophenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]benzamide
CID 9315282
4-[(4-fluorophenyl)sulfonylamino]-N-[(1R)-1-phenylethyl]benzamide
CID 9315283
4-[[2-(4-chlorophenyl)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 43887548
4-[[(E)-2-phenylethenyl]sulfonylamino]-N-[(1S)-1-phenylethyl]benzamide
CID 9315088

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,3-dichlorophenyl)ethylsulfonylamino]-N-[(1R)-1-phenylethyl]benzamide?
The IUPAC name of 4-[2-(2,3-dichlorophenyl)ethylsulfonylamino]-N-[(1R)-1-phenylethyl]benzamide (CID 69185833) is 4-[2-(2,3-dichlorophenyl)ethylsulfonylamino]-N-[(1R)-1-phenylethyl]benzamide.
What is the SMILES notation for 4-[2-(2,3-dichlorophenyl)ethylsulfonylamino]-N-[(1R)-1-phenylethyl]benzamide?
The canonical SMILES for 4-[2-(2,3-dichlorophenyl)ethylsulfonylamino]-N-[(1R)-1-phenylethyl]benzamide is C[C@@H](NC(=O)c1ccc(NS(=O)(=O)CCc2cccc(Cl)c2Cl)cc1)c1ccccc1.
What is the InChIKey of 4-[2-(2,3-dichlorophenyl)ethylsulfonylamino]-N-[(1R)-1-phenylethyl]benzamide?
The InChIKey is QGGHWXKLAYTHAB-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H22Cl2N2O3S/c1-16(17-6-3-2-4-7-17)26-23(28)19-10-12-20(13-11-19)27-31(29,30)15-14-18-8-5-9-21(24)22(18)25/h2-13,16,27H,14-15H2,1H3,(H,26,28)/t16-/m1/s1.
What are the key properties of 4-[2-(2,3-dichlorophenyl)ethylsulfonylamino]-N-[(1R)-1-phenylethyl]benzamide?
4-[2-(2,3-dichlorophenyl)ethylsulfonylamino]-N-[(1R)-1-phenylethyl]benzamide has a molecular weight of 477.41 g/mol, XLogP of 5.47, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,3-dichlorophenyl)ethylsulfonylamino]-N-[(1R)-1-phenylethyl]benzamide is sourced from PubChem (CID 69185833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).