2-(2-bromo-4-chlorophenoxy)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide

C16H16BrClN2O4S — CID 2627423

IUPAC2-(2-bromo-4-chlorophenoxy)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)COc2ccc(Cl)cc2Br)cc1
InChIInChI=1S/C16H16BrClN2O4S/c17-14-9-12(18)3-6-15(14)24-10-16(21)20-8-7-11-1-4-13(5-2-11)25(19,22)23/h1-6,9H,7-8,10H2,(H,20,21)(H2,19,22,23)
InChIKeyPDQDNHVXZZWSOB-UHFFFAOYSA-N
MW447.74 g/mol
LogP2.49
Rot. Bonds7

About 2-(2-bromo-4-chlorophenoxy)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide

2-(2-bromo-4-chlorophenoxy)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide (PubChem CID 2627423) has the molecular formula C16H16BrClN2O4S and a molecular weight of 447.74 g/mol. Its IUPAC name is 2-(2-bromo-4-chlorophenoxy)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-chlorophenoxy)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
PubChem CID2627423
Molecular FormulaC16H16BrClN2O4S
Molecular Weight447.74 g/mol
Exact Mass445.97
IUPAC Name2-(2-bromo-4-chlorophenoxy)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)COc2ccc(Cl)cc2Br)cc1
InChIInChI=1S/C16H16BrClN2O4S/c17-14-9-12(18)3-6-15(14)24-10-16(21)20-8-7-11-1-4-13(5-2-11)25(19,22)23/h1-6,9H,7-8,10H2,(H,20,21)(H2,19,22,23)
InChIKeyPDQDNHVXZZWSOB-UHFFFAOYSA-N
XLogP2.49
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.74
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloro-2-methylphenoxy)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 2683015
2-(2-bromo-4-chlorophenoxy)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 7975078
N-[2-(4-chlorophenyl)ethyl]-2-(2,4-dibromophenoxy)acetamide
CID 2632590
methyl 3-chloro-4-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethoxy]benzoate
CID 55578270
4-(4-chloro-2-methylphenoxy)-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
CID 18074478
2-(2-bromo-4-chlorophenoxy)-N-pentylacetamide
CID 19201316
methyl 3-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]propanoate
CID 17401669
N-[2-(4-chlorophenyl)ethyl]-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide
CID 109002532
2-(3,4-dichlorophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 4784267
2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]acetic acid
CID 43091937
2-(2-bromo-4-chlorophenoxy)-N-[(4-methylphenyl)methyl]acetamide
CID 1289065
2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]oxyacetic acid
CID 60668138

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-chlorophenoxy)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The IUPAC name of 2-(2-bromo-4-chlorophenoxy)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide (CID 2627423) is 2-(2-bromo-4-chlorophenoxy)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(2-bromo-4-chlorophenoxy)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(2-bromo-4-chlorophenoxy)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide is NS(=O)(=O)c1ccc(CCNC(=O)COc2ccc(Cl)cc2Br)cc1.
What is the InChIKey of 2-(2-bromo-4-chlorophenoxy)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The InChIKey is PDQDNHVXZZWSOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrClN2O4S/c17-14-9-12(18)3-6-15(14)24-10-16(21)20-8-7-11-1-4-13(5-2-11)25(19,22)23/h1-6,9H,7-8,10H2,(H,20,21)(H2,19,22,23).
What are the key properties of 2-(2-bromo-4-chlorophenoxy)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
2-(2-bromo-4-chlorophenoxy)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide has a molecular weight of 447.74 g/mol, XLogP of 2.49, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-chlorophenoxy)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide is sourced from PubChem (CID 2627423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).