N-(benzenesulfonyl)-2-(2,4-dibromophenoxy)-N-(4-methoxyphenyl)acetamide

C21H17Br2NO5S — CID 19217315

IUPACN-(benzenesulfonyl)-2-(2,4-dibromophenoxy)-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(N(C(=O)COc2ccc(Br)cc2Br)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C21H17Br2NO5S/c1-28-17-10-8-16(9-11-17)24(30(26,27)18-5-3-2-4-6-18)21(25)14-29-20-12-7-15(22)13-19(20)23/h2-13H,14H2,1H3
InChIKeyVKANSAJRJNONKU-UHFFFAOYSA-N
MW555.24 g/mol
LogP5.02
Rot. Bonds7

About N-(benzenesulfonyl)-2-(2,4-dibromophenoxy)-N-(4-methoxyphenyl)acetamide

N-(benzenesulfonyl)-2-(2,4-dibromophenoxy)-N-(4-methoxyphenyl)acetamide (PubChem CID 19217315) has the molecular formula C21H17Br2NO5S and a molecular weight of 555.24 g/mol. Its IUPAC name is N-(benzenesulfonyl)-2-(2,4-dibromophenoxy)-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(benzenesulfonyl)-2-(2,4-dibromophenoxy)-N-(4-methoxyphenyl)acetamide
PubChem CID19217315
Molecular FormulaC21H17Br2NO5S
Molecular Weight555.24 g/mol
Exact Mass552.92
IUPAC NameN-(benzenesulfonyl)-2-(2,4-dibromophenoxy)-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(N(C(=O)COc2ccc(Br)cc2Br)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C21H17Br2NO5S/c1-28-17-10-8-16(9-11-17)24(30(26,27)18-5-3-2-4-6-18)21(25)14-29-20-12-7-15(22)13-19(20)23/h2-13H,14H2,1H3
InChIKeyVKANSAJRJNONKU-UHFFFAOYSA-N
XLogP5.02
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.24
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(benzenesulfonyl)-2-(4-bromo-2-ethylphenoxy)-N-(4-methoxyphenyl)acetamide
CID 19219764
N-(benzenesulfonyl)-2-(2-bromo-4-ethylphenoxy)-N-(4-methoxyphenyl)acetamide
CID 19219983
2-(2-bromo-4-chlorophenoxy)-N-(4-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)acetamide
CID 19220025
N-(benzenesulfonyl)-2-(4-bromo-2,6-dimethylphenoxy)-N-(4-methoxyphenyl)acetamide
CID 19218435
N-(benzenesulfonyl)-2-(2,5-dichlorophenoxy)-N-(4-methoxyphenyl)acetamide
CID 19217653
N-(benzenesulfonyl)-2-(2-bromo-4-ethylphenoxy)-N-(4-ethylphenyl)acetamide
CID 19219981
N-(benzenesulfonyl)-2-(2-bromo-4-chlorophenoxy)-N-(4-methylphenyl)acetamide
CID 19220017
N-(benzenesulfonyl)-2-(2,3-dimethylphenoxy)-N-(4-methoxyphenyl)acetamide
CID 19218157
2-(2-bromo-4-propylphenoxy)-N-(4-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)acetamide
CID 19219952
N-(benzenesulfonyl)-2-(2-bromo-4-propylphenoxy)-N-(4-ethylphenyl)acetamide
CID 19219946
N-(benzenesulfonyl)-2-(2-bromo-4-propan-2-ylphenoxy)-N-(4-methylphenyl)acetamide
CID 19219869
N-(benzenesulfonyl)-N-(3-chloro-4-methoxyphenyl)-2-(3-methoxyphenoxy)acetamide
CID 19220173

Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-2-(2,4-dibromophenoxy)-N-(4-methoxyphenyl)acetamide?
The IUPAC name of N-(benzenesulfonyl)-2-(2,4-dibromophenoxy)-N-(4-methoxyphenyl)acetamide (CID 19217315) is N-(benzenesulfonyl)-2-(2,4-dibromophenoxy)-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-(benzenesulfonyl)-2-(2,4-dibromophenoxy)-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-(benzenesulfonyl)-2-(2,4-dibromophenoxy)-N-(4-methoxyphenyl)acetamide is COc1ccc(N(C(=O)COc2ccc(Br)cc2Br)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of N-(benzenesulfonyl)-2-(2,4-dibromophenoxy)-N-(4-methoxyphenyl)acetamide?
The InChIKey is VKANSAJRJNONKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17Br2NO5S/c1-28-17-10-8-16(9-11-17)24(30(26,27)18-5-3-2-4-6-18)21(25)14-29-20-12-7-15(22)13-19(20)23/h2-13H,14H2,1H3.
What are the key properties of N-(benzenesulfonyl)-2-(2,4-dibromophenoxy)-N-(4-methoxyphenyl)acetamide?
N-(benzenesulfonyl)-2-(2,4-dibromophenoxy)-N-(4-methoxyphenyl)acetamide has a molecular weight of 555.24 g/mol, XLogP of 5.02, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonyl)-2-(2,4-dibromophenoxy)-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 19217315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).