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

C21H20ClN3O4S — CID 1007895

IUPAC2-[4-(benzylsulfamoyl)-2-chlorophenoxy]-N-(pyridin-4-ylmethyl)acetamide
SMILESO=C(COc1ccc(S(=O)(=O)NCc2ccccc2)cc1Cl)NCc1ccncc1
InChIInChI=1S/C21H20ClN3O4S/c22-19-12-18(30(27,28)25-14-16-4-2-1-3-5-16)6-7-20(19)29-15-21(26)24-13-17-8-10-23-11-9-17/h1-12,25H,13-15H2,(H,24,26)
InChIKeyCRDMZXONIVFVCZ-UHFFFAOYSA-N
MW445.93 g/mol
LogP2.91
Rot. Bonds9

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

2-[4-(benzylsulfamoyl)-2-chlorophenoxy]-N-(pyridin-4-ylmethyl)acetamide (PubChem CID 1007895) has the molecular formula C21H20ClN3O4S and a molecular weight of 445.93 g/mol. Its IUPAC name is 2-[4-(benzylsulfamoyl)-2-chlorophenoxy]-N-(pyridin-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[4-(benzylsulfamoyl)-2-chlorophenoxy]-N-(pyridin-4-ylmethyl)acetamide
PubChem CID1007895
Molecular FormulaC21H20ClN3O4S
Molecular Weight445.93 g/mol
Exact Mass445.09
IUPAC Name2-[4-(benzylsulfamoyl)-2-chlorophenoxy]-N-(pyridin-4-ylmethyl)acetamide
SMILESO=C(COc1ccc(S(=O)(=O)NCc2ccccc2)cc1Cl)NCc1ccncc1
InChIInChI=1S/C21H20ClN3O4S/c22-19-12-18(30(27,28)25-14-16-4-2-1-3-5-16)6-7-20(19)29-15-21(26)24-13-17-8-10-23-11-9-17/h1-12,25H,13-15H2,(H,24,26)
InChIKeyCRDMZXONIVFVCZ-UHFFFAOYSA-N
XLogP2.91
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.93
LogP ≤ 52.91
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-(pyridin-4-ylmethyl)acetamide?
The IUPAC name of 2-[4-(benzylsulfamoyl)-2-chlorophenoxy]-N-(pyridin-4-ylmethyl)acetamide (CID 1007895) is 2-[4-(benzylsulfamoyl)-2-chlorophenoxy]-N-(pyridin-4-ylmethyl)acetamide.
What is the SMILES notation for 2-[4-(benzylsulfamoyl)-2-chlorophenoxy]-N-(pyridin-4-ylmethyl)acetamide?
The canonical SMILES for 2-[4-(benzylsulfamoyl)-2-chlorophenoxy]-N-(pyridin-4-ylmethyl)acetamide is O=C(COc1ccc(S(=O)(=O)NCc2ccccc2)cc1Cl)NCc1ccncc1.
What is the InChIKey of 2-[4-(benzylsulfamoyl)-2-chlorophenoxy]-N-(pyridin-4-ylmethyl)acetamide?
The InChIKey is CRDMZXONIVFVCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O4S/c22-19-12-18(30(27,28)25-14-16-4-2-1-3-5-16)6-7-20(19)29-15-21(26)24-13-17-8-10-23-11-9-17/h1-12,25H,13-15H2,(H,24,26).
What are the key properties of 2-[4-(benzylsulfamoyl)-2-chlorophenoxy]-N-(pyridin-4-ylmethyl)acetamide?
2-[4-(benzylsulfamoyl)-2-chlorophenoxy]-N-(pyridin-4-ylmethyl)acetamide has a molecular weight of 445.93 g/mol, XLogP of 2.91, 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-(pyridin-4-ylmethyl)acetamide is sourced from PubChem (CID 1007895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).