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

C23H22Cl2N2O4S — CID 69182395

IUPAC4-[2-(2,3-dichlorophenyl)ethylsulfonylamino]-N-[(2R)-2-hydroxy-2-phenylethyl]benzamide
SMILESO=C(NC[C@H](O)c1ccccc1)c1ccc(NS(=O)(=O)CCc2cccc(Cl)c2Cl)cc1
InChIInChI=1S/C23H22Cl2N2O4S/c24-20-8-4-7-17(22(20)25)13-14-32(30,31)27-19-11-9-18(10-12-19)23(29)26-15-21(28)16-5-2-1-3-6-16/h1-12,21,27-28H,13-15H2,(H,26,29)/t21-/m0/s1
InChIKeyODJCYFADFYBYDG-NRFANRHFSA-N
MW493.41 g/mol
LogP4.44
Rot. Bonds9

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

4-[2-(2,3-dichlorophenyl)ethylsulfonylamino]-N-[(2R)-2-hydroxy-2-phenylethyl]benzamide (PubChem CID 69182395) has the molecular formula C23H22Cl2N2O4S and a molecular weight of 493.41 g/mol. Its IUPAC name is 4-[2-(2,3-dichlorophenyl)ethylsulfonylamino]-N-[(2R)-2-hydroxy-2-phenylethyl]benzamide.

Molecular Properties

Compound Name4-[2-(2,3-dichlorophenyl)ethylsulfonylamino]-N-[(2R)-2-hydroxy-2-phenylethyl]benzamide
PubChem CID69182395
Molecular FormulaC23H22Cl2N2O4S
Molecular Weight493.41 g/mol
Exact Mass492.07
IUPAC Name4-[2-(2,3-dichlorophenyl)ethylsulfonylamino]-N-[(2R)-2-hydroxy-2-phenylethyl]benzamide
SMILESO=C(NC[C@H](O)c1ccccc1)c1ccc(NS(=O)(=O)CCc2cccc(Cl)c2Cl)cc1
InChIInChI=1S/C23H22Cl2N2O4S/c24-20-8-4-7-17(22(20)25)13-14-32(30,31)27-19-11-9-18(10-12-19)23(29)26-15-21(28)16-5-2-1-3-6-16/h1-12,21,27-28H,13-15H2,(H,26,29)/t21-/m0/s1
InChIKeyODJCYFADFYBYDG-NRFANRHFSA-N
XLogP4.44
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.41
LogP ≤ 54.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,3-dichlorophenyl)ethylsulfonylamino]-N-[(2R)-2-hydroxy-2-phenylethyl]benzamide?
The IUPAC name of 4-[2-(2,3-dichlorophenyl)ethylsulfonylamino]-N-[(2R)-2-hydroxy-2-phenylethyl]benzamide (CID 69182395) is 4-[2-(2,3-dichlorophenyl)ethylsulfonylamino]-N-[(2R)-2-hydroxy-2-phenylethyl]benzamide.
What is the SMILES notation for 4-[2-(2,3-dichlorophenyl)ethylsulfonylamino]-N-[(2R)-2-hydroxy-2-phenylethyl]benzamide?
The canonical SMILES for 4-[2-(2,3-dichlorophenyl)ethylsulfonylamino]-N-[(2R)-2-hydroxy-2-phenylethyl]benzamide is O=C(NC[C@H](O)c1ccccc1)c1ccc(NS(=O)(=O)CCc2cccc(Cl)c2Cl)cc1.
What is the InChIKey of 4-[2-(2,3-dichlorophenyl)ethylsulfonylamino]-N-[(2R)-2-hydroxy-2-phenylethyl]benzamide?
The InChIKey is ODJCYFADFYBYDG-NRFANRHFSA-N. The full InChI is InChI=1S/C23H22Cl2N2O4S/c24-20-8-4-7-17(22(20)25)13-14-32(30,31)27-19-11-9-18(10-12-19)23(29)26-15-21(28)16-5-2-1-3-6-16/h1-12,21,27-28H,13-15H2,(H,26,29)/t21-/m0/s1.
What are the key properties of 4-[2-(2,3-dichlorophenyl)ethylsulfonylamino]-N-[(2R)-2-hydroxy-2-phenylethyl]benzamide?
4-[2-(2,3-dichlorophenyl)ethylsulfonylamino]-N-[(2R)-2-hydroxy-2-phenylethyl]benzamide has a molecular weight of 493.41 g/mol, XLogP of 4.44, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,3-dichlorophenyl)ethylsulfonylamino]-N-[(2R)-2-hydroxy-2-phenylethyl]benzamide is sourced from PubChem (CID 69182395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).