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

C17H17BrClNO5S — CID 166333549

IUPACN-(3-bromo-4-ethoxyphenyl)sulfonyl-2-(2-chloro-4-methoxyphenyl)acetamide
SMILESCCOc1ccc(S(=O)(=O)NC(=O)Cc2ccc(OC)cc2Cl)cc1Br
InChIInChI=1S/C17H17BrClNO5S/c1-3-25-16-7-6-13(10-14(16)18)26(22,23)20-17(21)8-11-4-5-12(24-2)9-15(11)19/h4-7,9-10H,3,8H2,1-2H3,(H,20,21)
InChIKeyICMIYKZAWZJKPQ-UHFFFAOYSA-N
MW462.75 g/mol
LogP3.56
Rot. Bonds7

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

N-(3-bromo-4-ethoxyphenyl)sulfonyl-2-(2-chloro-4-methoxyphenyl)acetamide (PubChem CID 166333549) has the molecular formula C17H17BrClNO5S and a molecular weight of 462.75 g/mol. Its IUPAC name is N-(3-bromo-4-ethoxyphenyl)sulfonyl-2-(2-chloro-4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(3-bromo-4-ethoxyphenyl)sulfonyl-2-(2-chloro-4-methoxyphenyl)acetamide
PubChem CID166333549
Molecular FormulaC17H17BrClNO5S
Molecular Weight462.75 g/mol
Exact Mass460.97
IUPAC NameN-(3-bromo-4-ethoxyphenyl)sulfonyl-2-(2-chloro-4-methoxyphenyl)acetamide
SMILESCCOc1ccc(S(=O)(=O)NC(=O)Cc2ccc(OC)cc2Cl)cc1Br
InChIInChI=1S/C17H17BrClNO5S/c1-3-25-16-7-6-13(10-14(16)18)26(22,23)20-17(21)8-11-4-5-12(24-2)9-15(11)19/h4-7,9-10H,3,8H2,1-2H3,(H,20,21)
InChIKeyICMIYKZAWZJKPQ-UHFFFAOYSA-N
XLogP3.56
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.75
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-bromo-4-ethoxyphenyl)sulfonyl-2-(3-chloro-4-fluorophenyl)acetamide
CID 166333511
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
2-(4-bromophenyl)-N-(3,4-diethoxyphenyl)sulfonylacetamide
CID 166182044
2-(2-chloro-4-methoxyphenyl)-N-methylacetamide
CID 18456580
N-(4-chlorophenyl)sulfonyl-2-(4-ethoxyphenyl)acetamide
CID 166208857
3-bromo-N-[(2,5-dimethoxyphenyl)methyl]-4-methoxybenzenesulfonamide
CID 31827596
3-bromo-4-ethoxy-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 119973197
4-bromo-3-ethoxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 91758592
N-(3-chloro-4-ethoxyphenyl)-4-methoxybenzenesulfonamide
CID 110777436
2-(2-chloro-4-methoxyphenyl)-N-cyclopropylacetamide
CID 110769934
2-(2-chloro-4-methoxyphenyl)-N,N-diethylacetamide
CID 110769985

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-ethoxyphenyl)sulfonyl-2-(2-chloro-4-methoxyphenyl)acetamide?
The IUPAC name of N-(3-bromo-4-ethoxyphenyl)sulfonyl-2-(2-chloro-4-methoxyphenyl)acetamide (CID 166333549) is N-(3-bromo-4-ethoxyphenyl)sulfonyl-2-(2-chloro-4-methoxyphenyl)acetamide.
What is the SMILES notation for N-(3-bromo-4-ethoxyphenyl)sulfonyl-2-(2-chloro-4-methoxyphenyl)acetamide?
The canonical SMILES for N-(3-bromo-4-ethoxyphenyl)sulfonyl-2-(2-chloro-4-methoxyphenyl)acetamide is CCOc1ccc(S(=O)(=O)NC(=O)Cc2ccc(OC)cc2Cl)cc1Br.
What is the InChIKey of N-(3-bromo-4-ethoxyphenyl)sulfonyl-2-(2-chloro-4-methoxyphenyl)acetamide?
The InChIKey is ICMIYKZAWZJKPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrClNO5S/c1-3-25-16-7-6-13(10-14(16)18)26(22,23)20-17(21)8-11-4-5-12(24-2)9-15(11)19/h4-7,9-10H,3,8H2,1-2H3,(H,20,21).
What are the key properties of N-(3-bromo-4-ethoxyphenyl)sulfonyl-2-(2-chloro-4-methoxyphenyl)acetamide?
N-(3-bromo-4-ethoxyphenyl)sulfonyl-2-(2-chloro-4-methoxyphenyl)acetamide has a molecular weight of 462.75 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-ethoxyphenyl)sulfonyl-2-(2-chloro-4-methoxyphenyl)acetamide is sourced from PubChem (CID 166333549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).