N-(benzenesulfonyl)-2-(2-bromo-4-chlorophenoxy)-N-(4-methylphenyl)acetamide

C21H17BrClNO4S — CID 19220017

IUPACN-(benzenesulfonyl)-2-(2-bromo-4-chlorophenoxy)-N-(4-methylphenyl)acetamide
SMILESCc1ccc(N(C(=O)COc2ccc(Cl)cc2Br)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C21H17BrClNO4S/c1-15-7-10-17(11-8-15)24(29(26,27)18-5-3-2-4-6-18)21(25)14-28-20-12-9-16(23)13-19(20)22/h2-13H,14H2,1H3
InChIKeyBFOIIDXJPLLZIZ-UHFFFAOYSA-N
MW494.79 g/mol
LogP5.21
Rot. Bonds6

About N-(benzenesulfonyl)-2-(2-bromo-4-chlorophenoxy)-N-(4-methylphenyl)acetamide

N-(benzenesulfonyl)-2-(2-bromo-4-chlorophenoxy)-N-(4-methylphenyl)acetamide (PubChem CID 19220017) has the molecular formula C21H17BrClNO4S and a molecular weight of 494.79 g/mol. Its IUPAC name is N-(benzenesulfonyl)-2-(2-bromo-4-chlorophenoxy)-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound NameN-(benzenesulfonyl)-2-(2-bromo-4-chlorophenoxy)-N-(4-methylphenyl)acetamide
PubChem CID19220017
Molecular FormulaC21H17BrClNO4S
Molecular Weight494.79 g/mol
Exact Mass492.98
IUPAC NameN-(benzenesulfonyl)-2-(2-bromo-4-chlorophenoxy)-N-(4-methylphenyl)acetamide
SMILESCc1ccc(N(C(=O)COc2ccc(Cl)cc2Br)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C21H17BrClNO4S/c1-15-7-10-17(11-8-15)24(29(26,27)18-5-3-2-4-6-18)21(25)14-28-20-12-9-16(23)13-19(20)22/h2-13H,14H2,1H3
InChIKeyBFOIIDXJPLLZIZ-UHFFFAOYSA-N
XLogP5.21
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.79
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(benzenesulfonyl)-2-(2-bromo-4-propan-2-ylphenoxy)-N-(4-methylphenyl)acetamide
CID 19219869
2-(2-bromo-4-chlorophenoxy)-N-(4-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)acetamide
CID 19220025
N-(benzenesulfonyl)-2-(2-bromo-4-ethylphenoxy)-N-(4-ethylphenyl)acetamide
CID 19219981
N-(benzenesulfonyl)-2-(2,4-dibromophenoxy)-N-(4-methoxyphenyl)acetamide
CID 19217315
N-(benzenesulfonyl)-2-(2,5-dichlorophenoxy)-N-(4-methoxyphenyl)acetamide
CID 19217653
N-(benzenesulfonyl)-2-(4-methylphenoxy)-N-(4-methylphenyl)acetamide
CID 19212675
N-(benzenesulfonyl)-2-(3,5-dimethylphenoxy)-N-(4-methylphenyl)acetamide
CID 19217513
N-(benzenesulfonyl)-2-(2-bromo-4-propylphenoxy)-N-(4-ethylphenyl)acetamide
CID 19219946
N-(benzenesulfonyl)-2-(2-bromo-4-ethylphenoxy)-N-(4-methoxyphenyl)acetamide
CID 19219983
2-(2,4-dimethylphenoxy)-N-(4-methylphenyl)-N-(4-methylphenyl)sulfonylacetamide
CID 19218121
N-(4-methylphenyl)-N-(4-methylphenyl)sulfonyl-2-phenoxyacetamide
CID 19212618
2-(2-methoxyphenoxy)-N-(4-methylphenyl)-N-(4-methylphenyl)sulfonylacetamide
CID 1283700

Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-2-(2-bromo-4-chlorophenoxy)-N-(4-methylphenyl)acetamide?
The IUPAC name of N-(benzenesulfonyl)-2-(2-bromo-4-chlorophenoxy)-N-(4-methylphenyl)acetamide (CID 19220017) is N-(benzenesulfonyl)-2-(2-bromo-4-chlorophenoxy)-N-(4-methylphenyl)acetamide.
What is the SMILES notation for N-(benzenesulfonyl)-2-(2-bromo-4-chlorophenoxy)-N-(4-methylphenyl)acetamide?
The canonical SMILES for N-(benzenesulfonyl)-2-(2-bromo-4-chlorophenoxy)-N-(4-methylphenyl)acetamide is Cc1ccc(N(C(=O)COc2ccc(Cl)cc2Br)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of N-(benzenesulfonyl)-2-(2-bromo-4-chlorophenoxy)-N-(4-methylphenyl)acetamide?
The InChIKey is BFOIIDXJPLLZIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17BrClNO4S/c1-15-7-10-17(11-8-15)24(29(26,27)18-5-3-2-4-6-18)21(25)14-28-20-12-9-16(23)13-19(20)22/h2-13H,14H2,1H3.
What are the key properties of N-(benzenesulfonyl)-2-(2-bromo-4-chlorophenoxy)-N-(4-methylphenyl)acetamide?
N-(benzenesulfonyl)-2-(2-bromo-4-chlorophenoxy)-N-(4-methylphenyl)acetamide has a molecular weight of 494.79 g/mol, XLogP of 5.21, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonyl)-2-(2-bromo-4-chlorophenoxy)-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 19220017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).