2-(4-bromophenoxy)-N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)acetamide

C22H19BrClNO4S — CID 19212751

IUPAC2-(4-bromophenoxy)-N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)acetamide
SMILESCc1ccc(C)c(N(C(=O)COc2ccc(Br)cc2)S(=O)(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C22H19BrClNO4S/c1-15-3-4-16(2)21(13-15)25(30(27,28)20-11-7-18(24)8-12-20)22(26)14-29-19-9-5-17(23)6-10-19/h3-13H,14H2,1-2H3
InChIKeyOOCJDYKLKMYCEG-UHFFFAOYSA-N
MW508.82 g/mol
LogP5.52
Rot. Bonds6

About 2-(4-bromophenoxy)-N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)acetamide

2-(4-bromophenoxy)-N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)acetamide (PubChem CID 19212751) has the molecular formula C22H19BrClNO4S and a molecular weight of 508.82 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)acetamide
PubChem CID19212751
Molecular FormulaC22H19BrClNO4S
Molecular Weight508.82 g/mol
Exact Mass506.99
IUPAC Name2-(4-bromophenoxy)-N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)acetamide
SMILESCc1ccc(C)c(N(C(=O)COc2ccc(Br)cc2)S(=O)(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C22H19BrClNO4S/c1-15-3-4-16(2)21(13-15)25(30(27,28)20-11-7-18(24)8-12-20)22(26)14-29-19-9-5-17(23)6-10-19/h3-13H,14H2,1-2H3
InChIKeyOOCJDYKLKMYCEG-UHFFFAOYSA-N
XLogP5.52
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.82
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)-2-(4-ethylphenoxy)acetamide
CID 19212848
N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)-2-[4-(2-phenylpropan-2-yl)phenoxy]acetamide
CID 19218271
N-(benzenesulfonyl)-N-(2,5-dimethylphenyl)-2-(4-phenylphenoxy)acetamide
CID 19217899
2-(2-tert-butyl-4-methylphenoxy)-N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)acetamide
CID 19217731
N-(benzenesulfonyl)-2-(4-chloro-3-methylphenoxy)-N-(2,5-dimethylphenyl)acetamide
CID 19217425
N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)-4-phenoxybutanamide
CID 19218621
N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)pentanamide
CID 19210421
N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)-4-(3-methylphenoxy)butanamide
CID 19218729
N-(4-chlorophenyl)sulfonyl-2-(2,4-dimethylphenoxy)-N-(4-ethoxyphenyl)acetamide
CID 19218128
N-(4-chlorophenyl)sulfonyl-4-(2,4-dichlorophenoxy)-N-(2,5-dimethylphenyl)butanamide
CID 19218656
N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)-4-methylbenzamide
CID 19210994
4-(2-bromo-4-ethylphenoxy)-N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)butanamide
CID 19219662

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)acetamide?
The IUPAC name of 2-(4-bromophenoxy)-N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)acetamide (CID 19212751) is 2-(4-bromophenoxy)-N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)acetamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)acetamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)acetamide is Cc1ccc(C)c(N(C(=O)COc2ccc(Br)cc2)S(=O)(=O)c2ccc(Cl)cc2)c1.
What is the InChIKey of 2-(4-bromophenoxy)-N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)acetamide?
The InChIKey is OOCJDYKLKMYCEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19BrClNO4S/c1-15-3-4-16(2)21(13-15)25(30(27,28)20-11-7-18(24)8-12-20)22(26)14-29-19-9-5-17(23)6-10-19/h3-13H,14H2,1-2H3.
What are the key properties of 2-(4-bromophenoxy)-N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)acetamide?
2-(4-bromophenoxy)-N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)acetamide has a molecular weight of 508.82 g/mol, XLogP of 5.52, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)acetamide is sourced from PubChem (CID 19212751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).