2-[N-(benzenesulfonyl)-4-bromoanilino]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide

C24H24BrN3O6S2 — CID 51343376

IUPAC2-[N-(benzenesulfonyl)-4-bromoanilino]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
SMILESO=C(CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C24H24BrN3O6S2/c25-19-6-10-21(11-7-19)28(36(32,33)22-4-2-1-3-5-22)18-24(29)26-20-8-12-23(13-9-20)35(30,31)27-14-16-34-17-15-27/h1-13H,14-18H2,(H,26,29)
InChIKeyKDULTWCRXYDCDB-UHFFFAOYSA-N
MW594.51 g/mol
LogP3.30
Rot. Bonds8

About 2-[N-(benzenesulfonyl)-4-bromoanilino]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide

2-[N-(benzenesulfonyl)-4-bromoanilino]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide (PubChem CID 51343376) has the molecular formula C24H24BrN3O6S2 and a molecular weight of 594.51 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-4-bromoanilino]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-4-bromoanilino]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
PubChem CID51343376
Molecular FormulaC24H24BrN3O6S2
Molecular Weight594.51 g/mol
Exact Mass593.03
IUPAC Name2-[N-(benzenesulfonyl)-4-bromoanilino]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
SMILESO=C(CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C24H24BrN3O6S2/c25-19-6-10-21(11-7-19)28(36(32,33)22-4-2-1-3-5-22)18-24(29)26-20-8-12-23(13-9-20)35(30,31)27-14-16-34-17-15-27/h1-13H,14-18H2,(H,26,29)
InChIKeyKDULTWCRXYDCDB-UHFFFAOYSA-N
XLogP3.30
TPSA113.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500594.51
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[N-(benzenesulfonyl)-3-bromoanilino]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 51343347
2-[N-(benzenesulfonyl)-4-nitroanilino]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 2897695
2-[N-(benzenesulfonyl)-4-bromoanilino]-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 43892357
2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 4164776
N-[4-(diethylsulfamoyl)phenyl]-2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)acetamide
CID 43900101
N-(4-chlorophenyl)-2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)acetamide
CID 30259197
N-(4-bromophenyl)-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide
CID 1289283
2-[N-(benzenesulfonyl)-3-chloro-4-methylanilino]-N-(4-bromophenyl)acetamide
CID 30170255
2-[N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 3694123
2-[N-(benzenesulfonyl)-4-iodoanilino]-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 43897789
N-(4-bromophenyl)-2-(4-fluoro-N-(4-fluorophenyl)sulfonylanilino)acetamide
CID 30259314
2-[N-(benzenesulfonyl)-4-bromoanilino]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
CID 43915486

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-4-bromoanilino]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-4-bromoanilino]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide (CID 51343376) is 2-[N-(benzenesulfonyl)-4-bromoanilino]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-4-bromoanilino]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-4-bromoanilino]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide is O=C(CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-4-bromoanilino]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide?
The InChIKey is KDULTWCRXYDCDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24BrN3O6S2/c25-19-6-10-21(11-7-19)28(36(32,33)22-4-2-1-3-5-22)18-24(29)26-20-8-12-23(13-9-20)35(30,31)27-14-16-34-17-15-27/h1-13H,14-18H2,(H,26,29).
What are the key properties of 2-[N-(benzenesulfonyl)-4-bromoanilino]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide?
2-[N-(benzenesulfonyl)-4-bromoanilino]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide has a molecular weight of 594.51 g/mol, XLogP of 3.30, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-4-bromoanilino]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 51343376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).