2-[4-(benzylsulfamoyl)-2-chlorophenoxy]-N-(oxolan-2-ylmethyl)acetamide

C20H23ClN2O5S — CID 2957765

IUPAC2-[4-(benzylsulfamoyl)-2-chlorophenoxy]-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(COc1ccc(S(=O)(=O)NCc2ccccc2)cc1Cl)NCC1CCCO1
InChIInChI=1S/C20H23ClN2O5S/c21-18-11-17(29(25,26)23-12-15-5-2-1-3-6-15)8-9-19(18)28-14-20(24)22-13-16-7-4-10-27-16/h1-3,5-6,8-9,11,16,23H,4,7,10,12-14H2,(H,22,24)
InChIKeyHYDJKBQQZKKBCU-UHFFFAOYSA-N
MW438.93 g/mol
LogP2.49
Rot. Bonds9

About 2-[4-(benzylsulfamoyl)-2-chlorophenoxy]-N-(oxolan-2-ylmethyl)acetamide

2-[4-(benzylsulfamoyl)-2-chlorophenoxy]-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 2957765) has the molecular formula C20H23ClN2O5S and a molecular weight of 438.93 g/mol. Its IUPAC name is 2-[4-(benzylsulfamoyl)-2-chlorophenoxy]-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[4-(benzylsulfamoyl)-2-chlorophenoxy]-N-(oxolan-2-ylmethyl)acetamide
PubChem CID2957765
Molecular FormulaC20H23ClN2O5S
Molecular Weight438.93 g/mol
Exact Mass438.10
IUPAC Name2-[4-(benzylsulfamoyl)-2-chlorophenoxy]-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(COc1ccc(S(=O)(=O)NCc2ccccc2)cc1Cl)NCC1CCCO1
InChIInChI=1S/C20H23ClN2O5S/c21-18-11-17(29(25,26)23-12-15-5-2-1-3-6-15)8-9-19(18)28-14-20(24)22-13-16-7-4-10-27-16/h1-3,5-6,8-9,11,16,23H,4,7,10,12-14H2,(H,22,24)
InChIKeyHYDJKBQQZKKBCU-UHFFFAOYSA-N
XLogP2.49
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.93
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(benzylsulfamoyl)-2-chlorophenoxy]-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-[4-(benzylsulfamoyl)-2-chlorophenoxy]-N-(oxolan-2-ylmethyl)acetamide (CID 2957765) is 2-[4-(benzylsulfamoyl)-2-chlorophenoxy]-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[4-(benzylsulfamoyl)-2-chlorophenoxy]-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[4-(benzylsulfamoyl)-2-chlorophenoxy]-N-(oxolan-2-ylmethyl)acetamide is O=C(COc1ccc(S(=O)(=O)NCc2ccccc2)cc1Cl)NCC1CCCO1.
What is the InChIKey of 2-[4-(benzylsulfamoyl)-2-chlorophenoxy]-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is HYDJKBQQZKKBCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O5S/c21-18-11-17(29(25,26)23-12-15-5-2-1-3-6-15)8-9-19(18)28-14-20(24)22-13-16-7-4-10-27-16/h1-3,5-6,8-9,11,16,23H,4,7,10,12-14H2,(H,22,24).
What are the key properties of 2-[4-(benzylsulfamoyl)-2-chlorophenoxy]-N-(oxolan-2-ylmethyl)acetamide?
2-[4-(benzylsulfamoyl)-2-chlorophenoxy]-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 438.93 g/mol, XLogP of 2.49, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(benzylsulfamoyl)-2-chlorophenoxy]-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 2957765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).