(2-amino-2-oxoethyl) 3-[benzyl-(4-chlorophenyl)sulfamoyl]-4-chlorobenzoate

C22H18Cl2N2O5S — CID 2430327

IUPAC(2-amino-2-oxoethyl) 3-[benzyl-(4-chlorophenyl)sulfamoyl]-4-chlorobenzoate
SMILESNC(=O)COC(=O)c1ccc(Cl)c(S(=O)(=O)N(Cc2ccccc2)c2ccc(Cl)cc2)c1
InChIInChI=1S/C22H18Cl2N2O5S/c23-17-7-9-18(10-8-17)26(13-15-4-2-1-3-5-15)32(29,30)20-12-16(6-11-19(20)24)22(28)31-14-21(25)27/h1-12H,13-14H2,(H2,25,27)
InChIKeyUZIUTJBYUHKEGE-UHFFFAOYSA-N
MW493.37 g/mol
LogP4.03
Rot. Bonds8

About (2-amino-2-oxoethyl) 3-[benzyl-(4-chlorophenyl)sulfamoyl]-4-chlorobenzoate

(2-amino-2-oxoethyl) 3-[benzyl-(4-chlorophenyl)sulfamoyl]-4-chlorobenzoate (PubChem CID 2430327) has the molecular formula C22H18Cl2N2O5S and a molecular weight of 493.37 g/mol. Its IUPAC name is (2-amino-2-oxoethyl) 3-[benzyl-(4-chlorophenyl)sulfamoyl]-4-chlorobenzoate.

Molecular Properties

Compound Name(2-amino-2-oxoethyl) 3-[benzyl-(4-chlorophenyl)sulfamoyl]-4-chlorobenzoate
PubChem CID2430327
Molecular FormulaC22H18Cl2N2O5S
Molecular Weight493.37 g/mol
Exact Mass492.03
IUPAC Name(2-amino-2-oxoethyl) 3-[benzyl-(4-chlorophenyl)sulfamoyl]-4-chlorobenzoate
SMILESNC(=O)COC(=O)c1ccc(Cl)c(S(=O)(=O)N(Cc2ccccc2)c2ccc(Cl)cc2)c1
InChIInChI=1S/C22H18Cl2N2O5S/c23-17-7-9-18(10-8-17)26(13-15-4-2-1-3-5-15)32(29,30)20-12-16(6-11-19(20)24)22(28)31-14-21(25)27/h1-12H,13-14H2,(H2,25,27)
InChIKeyUZIUTJBYUHKEGE-UHFFFAOYSA-N
XLogP4.03
TPSA106.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.37
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-amino-2-oxoethyl) 3-[benzyl-(4-chlorophenyl)sulfamoyl]-4-chlorobenzoate?
The IUPAC name of (2-amino-2-oxoethyl) 3-[benzyl-(4-chlorophenyl)sulfamoyl]-4-chlorobenzoate (CID 2430327) is (2-amino-2-oxoethyl) 3-[benzyl-(4-chlorophenyl)sulfamoyl]-4-chlorobenzoate.
What is the SMILES notation for (2-amino-2-oxoethyl) 3-[benzyl-(4-chlorophenyl)sulfamoyl]-4-chlorobenzoate?
The canonical SMILES for (2-amino-2-oxoethyl) 3-[benzyl-(4-chlorophenyl)sulfamoyl]-4-chlorobenzoate is NC(=O)COC(=O)c1ccc(Cl)c(S(=O)(=O)N(Cc2ccccc2)c2ccc(Cl)cc2)c1.
What is the InChIKey of (2-amino-2-oxoethyl) 3-[benzyl-(4-chlorophenyl)sulfamoyl]-4-chlorobenzoate?
The InChIKey is UZIUTJBYUHKEGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18Cl2N2O5S/c23-17-7-9-18(10-8-17)26(13-15-4-2-1-3-5-15)32(29,30)20-12-16(6-11-19(20)24)22(28)31-14-21(25)27/h1-12H,13-14H2,(H2,25,27).
What are the key properties of (2-amino-2-oxoethyl) 3-[benzyl-(4-chlorophenyl)sulfamoyl]-4-chlorobenzoate?
(2-amino-2-oxoethyl) 3-[benzyl-(4-chlorophenyl)sulfamoyl]-4-chlorobenzoate has a molecular weight of 493.37 g/mol, XLogP of 4.03, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-2-oxoethyl) 3-[benzyl-(4-chlorophenyl)sulfamoyl]-4-chlorobenzoate is sourced from PubChem (CID 2430327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).