2-[2-(benzenesulfonyl)-3-methoxyanilino]-N-(4-bromophenyl)acetamide

C21H19BrN2O4S — CID 22304187

IUPAC2-[2-(benzenesulfonyl)-3-methoxyanilino]-N-(4-bromophenyl)acetamide
SMILESCOc1cccc(NCC(=O)Nc2ccc(Br)cc2)c1S(=O)(=O)c1ccccc1
InChIInChI=1S/C21H19BrN2O4S/c1-28-19-9-5-8-18(21(19)29(26,27)17-6-3-2-4-7-17)23-14-20(25)24-16-12-10-15(22)11-13-16/h2-13,23H,14H2,1H3,(H,24,25)
InChIKeyYTMOEDJIDYRKQE-UHFFFAOYSA-N
MW475.36 g/mol
LogP4.34
Rot. Bonds7

About 2-[2-(benzenesulfonyl)-3-methoxyanilino]-N-(4-bromophenyl)acetamide

2-[2-(benzenesulfonyl)-3-methoxyanilino]-N-(4-bromophenyl)acetamide (PubChem CID 22304187) has the molecular formula C21H19BrN2O4S and a molecular weight of 475.36 g/mol. Its IUPAC name is 2-[2-(benzenesulfonyl)-3-methoxyanilino]-N-(4-bromophenyl)acetamide.

Molecular Properties

Compound Name2-[2-(benzenesulfonyl)-3-methoxyanilino]-N-(4-bromophenyl)acetamide
PubChem CID22304187
Molecular FormulaC21H19BrN2O4S
Molecular Weight475.36 g/mol
Exact Mass474.02
IUPAC Name2-[2-(benzenesulfonyl)-3-methoxyanilino]-N-(4-bromophenyl)acetamide
SMILESCOc1cccc(NCC(=O)Nc2ccc(Br)cc2)c1S(=O)(=O)c1ccccc1
InChIInChI=1S/C21H19BrN2O4S/c1-28-19-9-5-8-18(21(19)29(26,27)17-6-3-2-4-7-17)23-14-20(25)24-16-12-10-15(22)11-13-16/h2-13,23H,14H2,1H3,(H,24,25)
InChIKeyYTMOEDJIDYRKQE-UHFFFAOYSA-N
XLogP4.34
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.36
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(benzenesulfonyl)-3-methoxyanilino]-N-tert-butylacetamide
CID 22304181
2-[3-methoxy-2-(4-methylphenyl)sulfonylanilino]-N-naphthalen-2-ylacetamide
CID 22304744
2-[2-(benzenesulfonyl)-3-methoxyanilino]-N-cyclopropylacetamide
CID 22300627
2-(2-methoxyanilino)-N-phenylacetamide
CID 7636827
2-(2-methoxyanilino)-N-(4-methylsulfonylphenyl)acetamide
CID 42026319
2-[2-(benzenesulfonyl)-3,4-dichloroanilino]-N-(3,4-dimethoxyphenyl)acetamide
CID 22304597
N-[4-(diethylsulfamoyl)phenyl]-2-(2-methoxyanilino)acetamide
CID 9080497
2-(2-methoxyanilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 9080500
N-(4-bromophenyl)-2-[2,4-dichloro-3-(4-methylphenyl)sulfonyl-5-phenylmethoxyanilino]acetamide
CID 20850921
2-(5-bromo-2-methoxyanilino)-N-(2-methoxyphenyl)acetamide
CID 87030481
N-[4-[[2-(2-methoxyanilino)acetyl]amino]phenyl]-3-methylbutanamide
CID 54817342
2-[2-(3,4-dimethoxyphenyl)sulfonylanilino]-N-(4-methoxyphenyl)acetamide
CID 22307621

Frequently Asked Questions

What is the IUPAC name of 2-[2-(benzenesulfonyl)-3-methoxyanilino]-N-(4-bromophenyl)acetamide?
The IUPAC name of 2-[2-(benzenesulfonyl)-3-methoxyanilino]-N-(4-bromophenyl)acetamide (CID 22304187) is 2-[2-(benzenesulfonyl)-3-methoxyanilino]-N-(4-bromophenyl)acetamide.
What is the SMILES notation for 2-[2-(benzenesulfonyl)-3-methoxyanilino]-N-(4-bromophenyl)acetamide?
The canonical SMILES for 2-[2-(benzenesulfonyl)-3-methoxyanilino]-N-(4-bromophenyl)acetamide is COc1cccc(NCC(=O)Nc2ccc(Br)cc2)c1S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[2-(benzenesulfonyl)-3-methoxyanilino]-N-(4-bromophenyl)acetamide?
The InChIKey is YTMOEDJIDYRKQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19BrN2O4S/c1-28-19-9-5-8-18(21(19)29(26,27)17-6-3-2-4-7-17)23-14-20(25)24-16-12-10-15(22)11-13-16/h2-13,23H,14H2,1H3,(H,24,25).
What are the key properties of 2-[2-(benzenesulfonyl)-3-methoxyanilino]-N-(4-bromophenyl)acetamide?
2-[2-(benzenesulfonyl)-3-methoxyanilino]-N-(4-bromophenyl)acetamide has a molecular weight of 475.36 g/mol, XLogP of 4.34, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(benzenesulfonyl)-3-methoxyanilino]-N-(4-bromophenyl)acetamide is sourced from PubChem (CID 22304187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).