2-(3-bromo-N-(4-methylphenyl)sulfonylanilino)-N-(4-bromophenyl)acetamide

C21H18Br2N2O3S — CID 43891649

IUPAC2-(3-bromo-N-(4-methylphenyl)sulfonylanilino)-N-(4-bromophenyl)acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(Br)cc2)c2cccc(Br)c2)cc1
InChIInChI=1S/C21H18Br2N2O3S/c1-15-5-11-20(12-6-15)29(27,28)25(19-4-2-3-17(23)13-19)14-21(26)24-18-9-7-16(22)8-10-18/h2-13H,14H2,1H3,(H,24,26)
InChIKeyIWKDPEBPWSYNKX-UHFFFAOYSA-N
MW538.26 g/mol
LogP5.35
Rot. Bonds6

About 2-(3-bromo-N-(4-methylphenyl)sulfonylanilino)-N-(4-bromophenyl)acetamide

2-(3-bromo-N-(4-methylphenyl)sulfonylanilino)-N-(4-bromophenyl)acetamide (PubChem CID 43891649) has the molecular formula C21H18Br2N2O3S and a molecular weight of 538.26 g/mol. Its IUPAC name is 2-(3-bromo-N-(4-methylphenyl)sulfonylanilino)-N-(4-bromophenyl)acetamide.

Molecular Properties

Compound Name2-(3-bromo-N-(4-methylphenyl)sulfonylanilino)-N-(4-bromophenyl)acetamide
PubChem CID43891649
Molecular FormulaC21H18Br2N2O3S
Molecular Weight538.26 g/mol
Exact Mass535.94
IUPAC Name2-(3-bromo-N-(4-methylphenyl)sulfonylanilino)-N-(4-bromophenyl)acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(Br)cc2)c2cccc(Br)c2)cc1
InChIInChI=1S/C21H18Br2N2O3S/c1-15-5-11-20(12-6-15)29(27,28)25(19-4-2-3-17(23)13-19)14-21(26)24-18-9-7-16(22)8-10-18/h2-13H,14H2,1H3,(H,24,26)
InChIKeyIWKDPEBPWSYNKX-UHFFFAOYSA-N
XLogP5.35
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.26
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromo-N-(4-methylphenyl)sulfonylanilino)-N-(3,4-dimethylphenyl)acetamide
CID 30171324
2-(3-bromo-N-(4-methylphenyl)sulfonylanilino)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide
CID 43907848
2-(3-bromo-N-(4-methylphenyl)sulfonylanilino)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
CID 46772656
2-[N-(benzenesulfonyl)-3-bromoanilino]-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]acetamide
CID 43881610
2-(3-bromo-N-methylsulfonylanilino)-N-(4-bromophenyl)acetamide
CID 30168807
2-[N-(benzenesulfonyl)-3-bromoanilino]-N-(4-iodophenyl)acetamide
CID 43891612
N-(4-bromophenyl)-2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)acetamide
CID 126034977
N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 43880995
2-(4-bromo-N-(4-methylphenyl)sulfonylanilino)-N-[4-[(4-bromophenyl)sulfamoyl]phenyl]acetamide
CID 43881021
N-(3-bromophenyl)-2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 30171190
2-(3-bromo-N-(4-methylphenyl)sulfonylanilino)-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)acetamide
CID 100526921
2-(3-bromo-N-(4-methylphenyl)sulfonylanilino)-N-(2,4-difluorophenyl)acetamide
CID 126030529

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-N-(4-methylphenyl)sulfonylanilino)-N-(4-bromophenyl)acetamide?
The IUPAC name of 2-(3-bromo-N-(4-methylphenyl)sulfonylanilino)-N-(4-bromophenyl)acetamide (CID 43891649) is 2-(3-bromo-N-(4-methylphenyl)sulfonylanilino)-N-(4-bromophenyl)acetamide.
What is the SMILES notation for 2-(3-bromo-N-(4-methylphenyl)sulfonylanilino)-N-(4-bromophenyl)acetamide?
The canonical SMILES for 2-(3-bromo-N-(4-methylphenyl)sulfonylanilino)-N-(4-bromophenyl)acetamide is Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(Br)cc2)c2cccc(Br)c2)cc1.
What is the InChIKey of 2-(3-bromo-N-(4-methylphenyl)sulfonylanilino)-N-(4-bromophenyl)acetamide?
The InChIKey is IWKDPEBPWSYNKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18Br2N2O3S/c1-15-5-11-20(12-6-15)29(27,28)25(19-4-2-3-17(23)13-19)14-21(26)24-18-9-7-16(22)8-10-18/h2-13H,14H2,1H3,(H,24,26).
What are the key properties of 2-(3-bromo-N-(4-methylphenyl)sulfonylanilino)-N-(4-bromophenyl)acetamide?
2-(3-bromo-N-(4-methylphenyl)sulfonylanilino)-N-(4-bromophenyl)acetamide has a molecular weight of 538.26 g/mol, XLogP of 5.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-N-(4-methylphenyl)sulfonylanilino)-N-(4-bromophenyl)acetamide is sourced from PubChem (CID 43891649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).