N-(5-bromo-2-ethoxyphenyl)sulfonyl-2-(4-chlorophenyl)acetamide

C16H15BrClNO4S — CID 166189927

IUPACN-(5-bromo-2-ethoxyphenyl)sulfonyl-2-(4-chlorophenyl)acetamide
SMILESCCOc1ccc(Br)cc1S(=O)(=O)NC(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C16H15BrClNO4S/c1-2-23-14-8-5-12(17)10-15(14)24(21,22)19-16(20)9-11-3-6-13(18)7-4-11/h3-8,10H,2,9H2,1H3,(H,19,20)
InChIKeyJEBAWGHLGYRRFW-UHFFFAOYSA-N
MW432.72 g/mol
LogP3.55
Rot. Bonds6

About N-(5-bromo-2-ethoxyphenyl)sulfonyl-2-(4-chlorophenyl)acetamide

N-(5-bromo-2-ethoxyphenyl)sulfonyl-2-(4-chlorophenyl)acetamide (PubChem CID 166189927) has the molecular formula C16H15BrClNO4S and a molecular weight of 432.72 g/mol. Its IUPAC name is N-(5-bromo-2-ethoxyphenyl)sulfonyl-2-(4-chlorophenyl)acetamide.

Molecular Properties

Compound NameN-(5-bromo-2-ethoxyphenyl)sulfonyl-2-(4-chlorophenyl)acetamide
PubChem CID166189927
Molecular FormulaC16H15BrClNO4S
Molecular Weight432.72 g/mol
Exact Mass430.96
IUPAC NameN-(5-bromo-2-ethoxyphenyl)sulfonyl-2-(4-chlorophenyl)acetamide
SMILESCCOc1ccc(Br)cc1S(=O)(=O)NC(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C16H15BrClNO4S/c1-2-23-14-8-5-12(17)10-15(14)24(21,22)19-16(20)9-11-3-6-13(18)7-4-11/h3-8,10H,2,9H2,1H3,(H,19,20)
InChIKeyJEBAWGHLGYRRFW-UHFFFAOYSA-N
XLogP3.55
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.72
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromophenyl)-N-(3,4-diethoxyphenyl)sulfonylacetamide
CID 166182044
N-(3-bromo-4-ethoxyphenyl)sulfonyl-2-(3-chloro-4-fluorophenyl)acetamide
CID 166333511
N-(4-bromophenyl)sulfonyl-2-(4-chlorophenyl)acetamide
CID 56659875
N-(4-chlorophenyl)sulfonyl-2-(4-ethoxyphenyl)acetamide
CID 166208857
N-(3-bromo-4-methoxyphenyl)sulfonyl-2-(4-chlorophenyl)acetamide
CID 166199698
N-(3-bromo-4-ethoxyphenyl)sulfonyl-2-(4-chloro-3-fluorophenyl)acetamide
CID 166333513
5-bromo-2-ethoxy-N-(4-ethylphenyl)benzenesulfonamide
CID 2236441
5-bromo-N-[[[2-(4-chlorophenyl)acetyl]amino]carbamothioyl]-2-ethoxybenzamide
CID 17353410
4-[(5-bromo-2-ethoxyphenyl)sulfonylamino]-3-methylbutanoic acid
CID 81066148
5-bromo-N-[4-chloro-2-(2-fluorobenzoyl)phenyl]-2-ethoxybenzenesulfonamide
CID 2161250
5-bromo-2-ethoxybenzenesulfonic acid;hydrochloride
CID 174820450
5-bromo-N-(3-chloropyrazin-2-yl)-2-ethoxybenzenesulfonamide
CID 102990126

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-ethoxyphenyl)sulfonyl-2-(4-chlorophenyl)acetamide?
The IUPAC name of N-(5-bromo-2-ethoxyphenyl)sulfonyl-2-(4-chlorophenyl)acetamide (CID 166189927) is N-(5-bromo-2-ethoxyphenyl)sulfonyl-2-(4-chlorophenyl)acetamide.
What is the SMILES notation for N-(5-bromo-2-ethoxyphenyl)sulfonyl-2-(4-chlorophenyl)acetamide?
The canonical SMILES for N-(5-bromo-2-ethoxyphenyl)sulfonyl-2-(4-chlorophenyl)acetamide is CCOc1ccc(Br)cc1S(=O)(=O)NC(=O)Cc1ccc(Cl)cc1.
What is the InChIKey of N-(5-bromo-2-ethoxyphenyl)sulfonyl-2-(4-chlorophenyl)acetamide?
The InChIKey is JEBAWGHLGYRRFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrClNO4S/c1-2-23-14-8-5-12(17)10-15(14)24(21,22)19-16(20)9-11-3-6-13(18)7-4-11/h3-8,10H,2,9H2,1H3,(H,19,20).
What are the key properties of N-(5-bromo-2-ethoxyphenyl)sulfonyl-2-(4-chlorophenyl)acetamide?
N-(5-bromo-2-ethoxyphenyl)sulfonyl-2-(4-chlorophenyl)acetamide has a molecular weight of 432.72 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-ethoxyphenyl)sulfonyl-2-(4-chlorophenyl)acetamide is sourced from PubChem (CID 166189927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).