N-(2-bromophenyl)-2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)acetamide

C19H20BrClN2O4S — CID 4304721

IUPACN-(2-bromophenyl)-2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)acetamide
SMILESO=C(COc1ccc(S(=O)(=O)N2CCCCC2)cc1Cl)Nc1ccccc1Br
InChIInChI=1S/C19H20BrClN2O4S/c20-15-6-2-3-7-17(15)22-19(24)13-27-18-9-8-14(12-16(18)21)28(25,26)23-10-4-1-5-11-23/h2-3,6-9,12H,1,4-5,10-11,13H2,(H,22,24)
InChIKeyOEUFTEDXDNTUTL-UHFFFAOYSA-N
MW487.80 g/mol
LogP4.29
Rot. Bonds6

About N-(2-bromophenyl)-2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)acetamide

N-(2-bromophenyl)-2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)acetamide (PubChem CID 4304721) has the molecular formula C19H20BrClN2O4S and a molecular weight of 487.80 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)acetamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)acetamide
PubChem CID4304721
Molecular FormulaC19H20BrClN2O4S
Molecular Weight487.80 g/mol
Exact Mass486.00
IUPAC NameN-(2-bromophenyl)-2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)acetamide
SMILESO=C(COc1ccc(S(=O)(=O)N2CCCCC2)cc1Cl)Nc1ccccc1Br
InChIInChI=1S/C19H20BrClN2O4S/c20-15-6-2-3-7-17(15)22-19(24)13-27-18-9-8-14(12-16(18)21)28(25,26)23-10-4-1-5-11-23/h2-3,6-9,12H,1,4-5,10-11,13H2,(H,22,24)
InChIKeyOEUFTEDXDNTUTL-UHFFFAOYSA-N
XLogP4.29
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.80
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)-N-(2,4,5-trichlorophenyl)acetamide
CID 3950701
N-(2-chlorophenyl)-2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 126395278
2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)-N-(4-sulfamoylphenyl)acetamide
CID 5124062
2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)-N-(2,5-dimethylphenyl)acetamide
CID 4587367
2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)-N-ethylacetamide
CID 27161142
N-[(2-chlorophenyl)methyl]-2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 3993771
2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)-N-(3,4-difluorophenyl)acetamide
CID 28556016
[2-(2-bromoanilino)-2-oxoethyl] 3-piperidin-1-ylsulfonylbenzoate
CID 2511296
N-(2-bromophenyl)-3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)propanamide
CID 100511227
2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)-N-ethylacetamide
CID 3306707
2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)acetamide
CID 4667285
N-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)-2-(2-fluorophenoxy)acetamide
CID 7433996

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)acetamide?
The IUPAC name of N-(2-bromophenyl)-2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)acetamide (CID 4304721) is N-(2-bromophenyl)-2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)acetamide.
What is the SMILES notation for N-(2-bromophenyl)-2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)acetamide?
The canonical SMILES for N-(2-bromophenyl)-2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)acetamide is O=C(COc1ccc(S(=O)(=O)N2CCCCC2)cc1Cl)Nc1ccccc1Br.
What is the InChIKey of N-(2-bromophenyl)-2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)acetamide?
The InChIKey is OEUFTEDXDNTUTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrClN2O4S/c20-15-6-2-3-7-17(15)22-19(24)13-27-18-9-8-14(12-16(18)21)28(25,26)23-10-4-1-5-11-23/h2-3,6-9,12H,1,4-5,10-11,13H2,(H,22,24).
What are the key properties of N-(2-bromophenyl)-2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)acetamide?
N-(2-bromophenyl)-2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)acetamide has a molecular weight of 487.80 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)acetamide is sourced from PubChem (CID 4304721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).