N-(3-bromo-4-ethoxyphenyl)sulfonyl-2-(3-chloro-4-fluorophenyl)acetamide

C16H14BrClFNO4S — CID 166333511

IUPACN-(3-bromo-4-ethoxyphenyl)sulfonyl-2-(3-chloro-4-fluorophenyl)acetamide
SMILESCCOc1ccc(S(=O)(=O)NC(=O)Cc2ccc(F)c(Cl)c2)cc1Br
InChIInChI=1S/C16H14BrClFNO4S/c1-2-24-15-6-4-11(9-12(15)17)25(22,23)20-16(21)8-10-3-5-14(19)13(18)7-10/h3-7,9H,2,8H2,1H3,(H,20,21)
InChIKeyUOPNQACELVGMSC-UHFFFAOYSA-N
MW450.71 g/mol
LogP3.69
Rot. Bonds6

About N-(3-bromo-4-ethoxyphenyl)sulfonyl-2-(3-chloro-4-fluorophenyl)acetamide

N-(3-bromo-4-ethoxyphenyl)sulfonyl-2-(3-chloro-4-fluorophenyl)acetamide (PubChem CID 166333511) has the molecular formula C16H14BrClFNO4S and a molecular weight of 450.71 g/mol. Its IUPAC name is N-(3-bromo-4-ethoxyphenyl)sulfonyl-2-(3-chloro-4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-(3-bromo-4-ethoxyphenyl)sulfonyl-2-(3-chloro-4-fluorophenyl)acetamide
PubChem CID166333511
Molecular FormulaC16H14BrClFNO4S
Molecular Weight450.71 g/mol
Exact Mass448.95
IUPAC NameN-(3-bromo-4-ethoxyphenyl)sulfonyl-2-(3-chloro-4-fluorophenyl)acetamide
SMILESCCOc1ccc(S(=O)(=O)NC(=O)Cc2ccc(F)c(Cl)c2)cc1Br
InChIInChI=1S/C16H14BrClFNO4S/c1-2-24-15-6-4-11(9-12(15)17)25(22,23)20-16(21)8-10-3-5-14(19)13(18)7-10/h3-7,9H,2,8H2,1H3,(H,20,21)
InChIKeyUOPNQACELVGMSC-UHFFFAOYSA-N
XLogP3.69
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.71
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-bromo-4-ethoxyphenyl)sulfonyl-2-(4-chloro-3-fluorophenyl)acetamide
CID 166333513
N-(3-bromo-4-methoxyphenyl)sulfonyl-2-(4-chlorophenyl)acetamide
CID 166199698
N-(3-bromo-4-ethoxyphenyl)sulfonyl-2-(2-chloro-4-methoxyphenyl)acetamide
CID 166333549
2-(4-bromophenyl)-N-(3,4-diethoxyphenyl)sulfonylacetamide
CID 166182044
N-(5-bromo-2-ethoxyphenyl)sulfonyl-2-(4-chlorophenyl)acetamide
CID 166189927
N-(4-chlorophenyl)sulfonyl-2-(4-ethoxyphenyl)acetamide
CID 166208857
N-(4-bromophenyl)sulfonyl-2-(4-chlorophenyl)acetamide
CID 56659875
N-(4-chlorophenyl)sulfonyl-2-(4-fluorophenyl)acetamide
CID 56673721
(3-bromo-4-ethoxyphenyl)-(4-chloro-2,5-difluorophenyl)methanone
CID 104656857
N-(2-aminoethyl)-2-(3-chloro-4-ethoxyphenyl)acetamide
CID 95464919
4-[[2-(3-fluoro-4-methoxyphenyl)acetyl]sulfamoyl]benzamide
CID 71894451
N'-(3-chloro-4-fluorophenyl)sulfonylpropanehydrazide
CID 8505477

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-ethoxyphenyl)sulfonyl-2-(3-chloro-4-fluorophenyl)acetamide?
The IUPAC name of N-(3-bromo-4-ethoxyphenyl)sulfonyl-2-(3-chloro-4-fluorophenyl)acetamide (CID 166333511) is N-(3-bromo-4-ethoxyphenyl)sulfonyl-2-(3-chloro-4-fluorophenyl)acetamide.
What is the SMILES notation for N-(3-bromo-4-ethoxyphenyl)sulfonyl-2-(3-chloro-4-fluorophenyl)acetamide?
The canonical SMILES for N-(3-bromo-4-ethoxyphenyl)sulfonyl-2-(3-chloro-4-fluorophenyl)acetamide is CCOc1ccc(S(=O)(=O)NC(=O)Cc2ccc(F)c(Cl)c2)cc1Br.
What is the InChIKey of N-(3-bromo-4-ethoxyphenyl)sulfonyl-2-(3-chloro-4-fluorophenyl)acetamide?
The InChIKey is UOPNQACELVGMSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrClFNO4S/c1-2-24-15-6-4-11(9-12(15)17)25(22,23)20-16(21)8-10-3-5-14(19)13(18)7-10/h3-7,9H,2,8H2,1H3,(H,20,21).
What are the key properties of N-(3-bromo-4-ethoxyphenyl)sulfonyl-2-(3-chloro-4-fluorophenyl)acetamide?
N-(3-bromo-4-ethoxyphenyl)sulfonyl-2-(3-chloro-4-fluorophenyl)acetamide has a molecular weight of 450.71 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-ethoxyphenyl)sulfonyl-2-(3-chloro-4-fluorophenyl)acetamide is sourced from PubChem (CID 166333511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).