2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-(2-methoxyphenyl)acetamide

C22H20Cl2N2O4S — CID 1334485

IUPAC2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C22H20Cl2N2O4S/c1-30-20-10-6-5-9-19(20)25-22(27)15-26(14-16-7-3-2-4-8-16)31(28,29)21-13-17(23)11-12-18(21)24/h2-13H,14-15H2,1H3,(H,25,27)
InChIKeyHPRALOGVIWMOLM-UHFFFAOYSA-N
MW479.39 g/mol
LogP4.83
Rot. Bonds8

About 2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-(2-methoxyphenyl)acetamide

2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-(2-methoxyphenyl)acetamide (PubChem CID 1334485) has the molecular formula C22H20Cl2N2O4S and a molecular weight of 479.39 g/mol. Its IUPAC name is 2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-(2-methoxyphenyl)acetamide
PubChem CID1334485
Molecular FormulaC22H20Cl2N2O4S
Molecular Weight479.39 g/mol
Exact Mass478.05
IUPAC Name2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C22H20Cl2N2O4S/c1-30-20-10-6-5-9-19(20)25-22(27)15-26(14-16-7-3-2-4-8-16)31(28,29)21-13-17(23)11-12-18(21)24/h2-13H,14-15H2,1H3,(H,25,27)
InChIKeyHPRALOGVIWMOLM-UHFFFAOYSA-N
XLogP4.83
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.39
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-(2-methoxyphenyl)acetamide?
The IUPAC name of 2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-(2-methoxyphenyl)acetamide (CID 1334485) is 2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-(2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-(2-methoxyphenyl)acetamide?
The canonical SMILES for 2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-(2-methoxyphenyl)acetamide is COc1ccccc1NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-(2-methoxyphenyl)acetamide?
The InChIKey is HPRALOGVIWMOLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl2N2O4S/c1-30-20-10-6-5-9-19(20)25-22(27)15-26(14-16-7-3-2-4-8-16)31(28,29)21-13-17(23)11-12-18(21)24/h2-13H,14-15H2,1H3,(H,25,27).
What are the key properties of 2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-(2-methoxyphenyl)acetamide?
2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-(2-methoxyphenyl)acetamide has a molecular weight of 479.39 g/mol, XLogP of 4.83, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 1334485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).