4-[(2,3-dichlorophenyl)methyl-methylsulfonylamino]-N-[(1S)-1-phenylethyl]benzamide

C23H22Cl2N2O3S — CID 69492654

IUPAC4-[(2,3-dichlorophenyl)methyl-methylsulfonylamino]-N-[(1S)-1-phenylethyl]benzamide
SMILESC[C@H](NC(=O)c1ccc(N(Cc2cccc(Cl)c2Cl)S(C)(=O)=O)cc1)c1ccccc1
InChIInChI=1S/C23H22Cl2N2O3S/c1-16(17-7-4-3-5-8-17)26-23(28)18-11-13-20(14-12-18)27(31(2,29)30)15-19-9-6-10-21(24)22(19)25/h3-14,16H,15H2,1-2H3,(H,26,28)/t16-/m0/s1
InChIKeyFKODVNGAQDGVIP-INIZCTEOSA-N
MW477.41 g/mol
LogP5.45
Rot. Bonds7

About 4-[(2,3-dichlorophenyl)methyl-methylsulfonylamino]-N-[(1S)-1-phenylethyl]benzamide

4-[(2,3-dichlorophenyl)methyl-methylsulfonylamino]-N-[(1S)-1-phenylethyl]benzamide (PubChem CID 69492654) has the molecular formula C23H22Cl2N2O3S and a molecular weight of 477.41 g/mol. Its IUPAC name is 4-[(2,3-dichlorophenyl)methyl-methylsulfonylamino]-N-[(1S)-1-phenylethyl]benzamide.

Molecular Properties

Compound Name4-[(2,3-dichlorophenyl)methyl-methylsulfonylamino]-N-[(1S)-1-phenylethyl]benzamide
PubChem CID69492654
Molecular FormulaC23H22Cl2N2O3S
Molecular Weight477.41 g/mol
Exact Mass476.07
IUPAC Name4-[(2,3-dichlorophenyl)methyl-methylsulfonylamino]-N-[(1S)-1-phenylethyl]benzamide
SMILESC[C@H](NC(=O)c1ccc(N(Cc2cccc(Cl)c2Cl)S(C)(=O)=O)cc1)c1ccccc1
InChIInChI=1S/C23H22Cl2N2O3S/c1-16(17-7-4-3-5-8-17)26-23(28)18-11-13-20(14-12-18)27(31(2,29)30)15-19-9-6-10-21(24)22(19)25/h3-14,16H,15H2,1-2H3,(H,26,28)/t16-/m0/s1
InChIKeyFKODVNGAQDGVIP-INIZCTEOSA-N
XLogP5.45
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.41
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[benzyl(methylsulfonyl)amino]-N-[(1R)-1-phenylethyl]benzamide
CID 1106273
4-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-(2,4-dimethylpentan-3-yl)benzamide
CID 1311662
4-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-[(2R)-3-methylbutan-2-yl]benzamide
CID 100564011
4-[2-amino-1-[4-[(2,3-dichlorophenyl)methyl-methylsulfonylamino]phenyl]-2-oxoethyl]-N-methylbenzamide
CID 69184260
4-[(2,6-dichlorophenyl)methyl-methylsulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide
CID 92672055
N-[(2R)-butan-2-yl]-4-[(2-chlorophenyl)methyl-methylsulfonylamino]benzamide
CID 1312128
4-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-[1-(2-methoxyphenyl)ethyl]benzamide
CID 133161124
N-(3-acetamidopropyl)-4-[(2,3-dichlorophenyl)methyl-methylsulfonylamino]benzamide
CID 69183544
4-[2-(2,3-dichlorophenyl)ethylsulfonylamino]-N-[(1R)-1-phenylethyl]benzamide
CID 69185833
3-[(4-fluoro-N-methylsulfonylanilino)methyl]-4-methoxy-N-(1-phenylethyl)benzamide
CID 133230904
N-[(1R)-1-(4-ethoxyphenyl)ethyl]-4-[(2-methylphenyl)methyl-methylsulfonylamino]benzamide
CID 94018526
4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]-N-(1-phenylethyl)benzamide
CID 2884769

Frequently Asked Questions

What is the IUPAC name of 4-[(2,3-dichlorophenyl)methyl-methylsulfonylamino]-N-[(1S)-1-phenylethyl]benzamide?
The IUPAC name of 4-[(2,3-dichlorophenyl)methyl-methylsulfonylamino]-N-[(1S)-1-phenylethyl]benzamide (CID 69492654) is 4-[(2,3-dichlorophenyl)methyl-methylsulfonylamino]-N-[(1S)-1-phenylethyl]benzamide.
What is the SMILES notation for 4-[(2,3-dichlorophenyl)methyl-methylsulfonylamino]-N-[(1S)-1-phenylethyl]benzamide?
The canonical SMILES for 4-[(2,3-dichlorophenyl)methyl-methylsulfonylamino]-N-[(1S)-1-phenylethyl]benzamide is C[C@H](NC(=O)c1ccc(N(Cc2cccc(Cl)c2Cl)S(C)(=O)=O)cc1)c1ccccc1.
What is the InChIKey of 4-[(2,3-dichlorophenyl)methyl-methylsulfonylamino]-N-[(1S)-1-phenylethyl]benzamide?
The InChIKey is FKODVNGAQDGVIP-INIZCTEOSA-N. The full InChI is InChI=1S/C23H22Cl2N2O3S/c1-16(17-7-4-3-5-8-17)26-23(28)18-11-13-20(14-12-18)27(31(2,29)30)15-19-9-6-10-21(24)22(19)25/h3-14,16H,15H2,1-2H3,(H,26,28)/t16-/m0/s1.
What are the key properties of 4-[(2,3-dichlorophenyl)methyl-methylsulfonylamino]-N-[(1S)-1-phenylethyl]benzamide?
4-[(2,3-dichlorophenyl)methyl-methylsulfonylamino]-N-[(1S)-1-phenylethyl]benzamide has a molecular weight of 477.41 g/mol, XLogP of 5.45, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,3-dichlorophenyl)methyl-methylsulfonylamino]-N-[(1S)-1-phenylethyl]benzamide is sourced from PubChem (CID 69492654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).