2-[N-(benzenesulfonyl)-3-bromoanilino]-N-[(4-imidazol-1-ylphenyl)methyl]acetamide

C24H21BrN4O3S — CID 99940421

IUPAC2-[N-(benzenesulfonyl)-3-bromoanilino]-N-[(4-imidazol-1-ylphenyl)methyl]acetamide
SMILESO=C(CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1)NCc1ccc(-n2ccnc2)cc1
InChIInChI=1S/C24H21BrN4O3S/c25-20-5-4-6-22(15-20)29(33(31,32)23-7-2-1-3-8-23)17-24(30)27-16-19-9-11-21(12-10-19)28-14-13-26-18-28/h1-15,18H,16-17H2,(H,27,30)
InChIKeyDIBPQZZUXZQKKM-UHFFFAOYSA-N
MW525.43 g/mol
LogP4.15
Rot. Bonds8

About 2-[N-(benzenesulfonyl)-3-bromoanilino]-N-[(4-imidazol-1-ylphenyl)methyl]acetamide

2-[N-(benzenesulfonyl)-3-bromoanilino]-N-[(4-imidazol-1-ylphenyl)methyl]acetamide (PubChem CID 99940421) has the molecular formula C24H21BrN4O3S and a molecular weight of 525.43 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-3-bromoanilino]-N-[(4-imidazol-1-ylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-3-bromoanilino]-N-[(4-imidazol-1-ylphenyl)methyl]acetamide
PubChem CID99940421
Molecular FormulaC24H21BrN4O3S
Molecular Weight525.43 g/mol
Exact Mass524.05
IUPAC Name2-[N-(benzenesulfonyl)-3-bromoanilino]-N-[(4-imidazol-1-ylphenyl)methyl]acetamide
SMILESO=C(CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1)NCc1ccc(-n2ccnc2)cc1
InChIInChI=1S/C24H21BrN4O3S/c25-20-5-4-6-22(15-20)29(33(31,32)23-7-2-1-3-8-23)17-24(30)27-16-19-9-11-21(12-10-19)28-14-13-26-18-28/h1-15,18H,16-17H2,(H,27,30)
InChIKeyDIBPQZZUXZQKKM-UHFFFAOYSA-N
XLogP4.15
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.43
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-[(4-imidazol-1-ylphenyl)methyl]acetamide
CID 30303835
2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-[(4-imidazol-1-ylphenyl)methyl]acetamide
CID 30304666
2-[N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3-fluoroanilino]-N-[(4-imidazol-1-ylphenyl)methyl]acetamide
CID 30274057
2-(3-bromophenyl)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide
CID 99609547
N-[(4-imidazol-1-ylphenyl)methyl]-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide
CID 92681992
N-[(4-imidazol-1-ylphenyl)methyl]-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 28580232
2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide
CID 30307008
2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide
CID 30306242
2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-[(4-imidazol-1-ylphenyl)methyl]acetamide
CID 30274087
2-(N-(3-bromo-4-methoxyphenyl)sulfonyl-4-methylanilino)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide
CID 43909106
2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide
CID 92678156
2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-[(4-imidazol-1-ylphenyl)methyl]acetamide
CID 46772726

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-3-bromoanilino]-N-[(4-imidazol-1-ylphenyl)methyl]acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-3-bromoanilino]-N-[(4-imidazol-1-ylphenyl)methyl]acetamide (CID 99940421) is 2-[N-(benzenesulfonyl)-3-bromoanilino]-N-[(4-imidazol-1-ylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-3-bromoanilino]-N-[(4-imidazol-1-ylphenyl)methyl]acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-3-bromoanilino]-N-[(4-imidazol-1-ylphenyl)methyl]acetamide is O=C(CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1)NCc1ccc(-n2ccnc2)cc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-3-bromoanilino]-N-[(4-imidazol-1-ylphenyl)methyl]acetamide?
The InChIKey is DIBPQZZUXZQKKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21BrN4O3S/c25-20-5-4-6-22(15-20)29(33(31,32)23-7-2-1-3-8-23)17-24(30)27-16-19-9-11-21(12-10-19)28-14-13-26-18-28/h1-15,18H,16-17H2,(H,27,30).
What are the key properties of 2-[N-(benzenesulfonyl)-3-bromoanilino]-N-[(4-imidazol-1-ylphenyl)methyl]acetamide?
2-[N-(benzenesulfonyl)-3-bromoanilino]-N-[(4-imidazol-1-ylphenyl)methyl]acetamide has a molecular weight of 525.43 g/mol, XLogP of 4.15, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-3-bromoanilino]-N-[(4-imidazol-1-ylphenyl)methyl]acetamide is sourced from PubChem (CID 99940421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).