2-[4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-(pyridin-3-ylmethyl)acetamide

C20H18ClN3O4S — CID 2229701

IUPAC2-[4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-(pyridin-3-ylmethyl)acetamide
SMILESO=C(COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)NCc1cccnc1
InChIInChI=1S/C20H18ClN3O4S/c21-16-3-5-17(6-4-16)24-29(26,27)19-9-7-18(8-10-19)28-14-20(25)23-13-15-2-1-11-22-12-15/h1-12,24H,13-14H2,(H,23,25)
InChIKeyKEEQISCBBPIAAF-UHFFFAOYSA-N
MW431.90 g/mol
LogP3.23
Rot. Bonds8

About 2-[4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-(pyridin-3-ylmethyl)acetamide

2-[4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 2229701) has the molecular formula C20H18ClN3O4S and a molecular weight of 431.90 g/mol. Its IUPAC name is 2-[4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-(pyridin-3-ylmethyl)acetamide
PubChem CID2229701
Molecular FormulaC20H18ClN3O4S
Molecular Weight431.90 g/mol
Exact Mass431.07
IUPAC Name2-[4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-(pyridin-3-ylmethyl)acetamide
SMILESO=C(COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)NCc1cccnc1
InChIInChI=1S/C20H18ClN3O4S/c21-16-3-5-17(6-4-16)24-29(26,27)19-9-7-18(8-10-19)28-14-20(25)23-13-15-2-1-11-22-12-15/h1-12,24H,13-14H2,(H,23,25)
InChIKeyKEEQISCBBPIAAF-UHFFFAOYSA-N
XLogP3.23
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.90
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-[4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-(pyridin-3-ylmethyl)acetamide (CID 2229701) is 2-[4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-[4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-[4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-(pyridin-3-ylmethyl)acetamide is O=C(COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)NCc1cccnc1.
What is the InChIKey of 2-[4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is KEEQISCBBPIAAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O4S/c21-16-3-5-17(6-4-16)24-29(26,27)19-9-7-18(8-10-19)28-14-20(25)23-13-15-2-1-11-22-12-15/h1-12,24H,13-14H2,(H,23,25).
What are the key properties of 2-[4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-(pyridin-3-ylmethyl)acetamide?
2-[4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 431.90 g/mol, XLogP of 3.23, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 2229701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).