2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)-N-(3,4-difluorophenyl)acetamide

C19H19ClF2N2O4S — CID 28556016

IUPAC2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)-N-(3,4-difluorophenyl)acetamide
SMILESO=C(COc1ccc(S(=O)(=O)N2CCCCC2)cc1Cl)Nc1ccc(F)c(F)c1
InChIInChI=1S/C19H19ClF2N2O4S/c20-15-11-14(29(26,27)24-8-2-1-3-9-24)5-7-18(15)28-12-19(25)23-13-4-6-16(21)17(22)10-13/h4-7,10-11H,1-3,8-9,12H2,(H,23,25)
InChIKeyXGOGWDJTUFGCME-UHFFFAOYSA-N
MW444.89 g/mol
LogP3.81
Rot. Bonds6

About 2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)-N-(3,4-difluorophenyl)acetamide

2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)-N-(3,4-difluorophenyl)acetamide (PubChem CID 28556016) has the molecular formula C19H19ClF2N2O4S and a molecular weight of 444.89 g/mol. Its IUPAC name is 2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)-N-(3,4-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)-N-(3,4-difluorophenyl)acetamide
PubChem CID28556016
Molecular FormulaC19H19ClF2N2O4S
Molecular Weight444.89 g/mol
Exact Mass444.07
IUPAC Name2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)-N-(3,4-difluorophenyl)acetamide
SMILESO=C(COc1ccc(S(=O)(=O)N2CCCCC2)cc1Cl)Nc1ccc(F)c(F)c1
InChIInChI=1S/C19H19ClF2N2O4S/c20-15-11-14(29(26,27)24-8-2-1-3-9-24)5-7-18(15)28-12-19(25)23-13-4-6-16(21)17(22)10-13/h4-7,10-11H,1-3,8-9,12H2,(H,23,25)
InChIKeyXGOGWDJTUFGCME-UHFFFAOYSA-N
XLogP3.81
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.89
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)-N-(4-sulfamoylphenyl)acetamide
CID 5124062
2-(2,4-dichlorophenoxy)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 4798258
2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)-N-(2,4,5-trichlorophenyl)acetamide
CID 3950701
2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)-N-ethylacetamide
CID 27161142
N-(2-bromophenyl)-2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)acetamide
CID 4304721
2-(2-acetyl-4-chlorophenoxy)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 4783784
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-chlorophenoxy)acetamide
CID 1010577
2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)-N-ethylacetamide
CID 3306707
N-(3,4-difluorophenyl)-2-(4-piperidin-1-ylsulfonylanilino)acetamide
CID 9083905
N-(3,5-dichlorophenyl)-2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 126394235
2-(2,4-dichlorophenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 1080666
2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)acetamide
CID 4667285

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)-N-(3,4-difluorophenyl)acetamide?
The IUPAC name of 2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)-N-(3,4-difluorophenyl)acetamide (CID 28556016) is 2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)-N-(3,4-difluorophenyl)acetamide.
What is the SMILES notation for 2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)-N-(3,4-difluorophenyl)acetamide?
The canonical SMILES for 2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)-N-(3,4-difluorophenyl)acetamide is O=C(COc1ccc(S(=O)(=O)N2CCCCC2)cc1Cl)Nc1ccc(F)c(F)c1.
What is the InChIKey of 2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)-N-(3,4-difluorophenyl)acetamide?
The InChIKey is XGOGWDJTUFGCME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClF2N2O4S/c20-15-11-14(29(26,27)24-8-2-1-3-9-24)5-7-18(15)28-12-19(25)23-13-4-6-16(21)17(22)10-13/h4-7,10-11H,1-3,8-9,12H2,(H,23,25).
What are the key properties of 2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)-N-(3,4-difluorophenyl)acetamide?
2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)-N-(3,4-difluorophenyl)acetamide has a molecular weight of 444.89 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)-N-(3,4-difluorophenyl)acetamide is sourced from PubChem (CID 28556016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).