3-[(4-bromophenyl)sulfonylamino]-N-(2,4,5-trichlorophenyl)propanamide

C15H12BrCl3N2O3S — CID 17192350

IUPAC3-[(4-bromophenyl)sulfonylamino]-N-(2,4,5-trichlorophenyl)propanamide
SMILESO=C(CCNS(=O)(=O)c1ccc(Br)cc1)Nc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C15H12BrCl3N2O3S/c16-9-1-3-10(4-2-9)25(23,24)20-6-5-15(22)21-14-8-12(18)11(17)7-13(14)19/h1-4,7-8,20H,5-6H2,(H,21,22)
InChIKeyNBXHGLVTBQJVBE-UHFFFAOYSA-N
MW486.60 g/mol
LogP4.72
Rot. Bonds6

About 3-[(4-bromophenyl)sulfonylamino]-N-(2,4,5-trichlorophenyl)propanamide

3-[(4-bromophenyl)sulfonylamino]-N-(2,4,5-trichlorophenyl)propanamide (PubChem CID 17192350) has the molecular formula C15H12BrCl3N2O3S and a molecular weight of 486.60 g/mol. Its IUPAC name is 3-[(4-bromophenyl)sulfonylamino]-N-(2,4,5-trichlorophenyl)propanamide.

Molecular Properties

Compound Name3-[(4-bromophenyl)sulfonylamino]-N-(2,4,5-trichlorophenyl)propanamide
PubChem CID17192350
Molecular FormulaC15H12BrCl3N2O3S
Molecular Weight486.60 g/mol
Exact Mass483.88
IUPAC Name3-[(4-bromophenyl)sulfonylamino]-N-(2,4,5-trichlorophenyl)propanamide
SMILESO=C(CCNS(=O)(=O)c1ccc(Br)cc1)Nc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C15H12BrCl3N2O3S/c16-9-1-3-10(4-2-9)25(23,24)20-6-5-15(22)21-14-8-12(18)11(17)7-13(14)19/h1-4,7-8,20H,5-6H2,(H,21,22)
InChIKeyNBXHGLVTBQJVBE-UHFFFAOYSA-N
XLogP4.72
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.60
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

3-[(4-bromophenyl)sulfonylamino]-N-(2,3-dichlorophenyl)propanamide
CID 17192422
N-(4-bromo-2-methylphenyl)-3-[(4-chlorophenyl)sulfonylamino]propanamide
CID 17225649
3-[(4-bromophenyl)sulfonylamino]-N-(2-fluoro-4-methylphenyl)propanamide
CID 26687643
3-[(4-bromophenyl)sulfonylamino]-N-(2-cyanophenyl)propanamide
CID 17192424
3-[(4-bromophenyl)sulfonylamino]-N-(2-methyl-5-nitrophenyl)propanamide
CID 17192374
3-[(4-bromophenyl)sulfonylamino]-N-pyridin-4-ylpropanamide
CID 17192375
3-[(4-chlorophenyl)sulfonylamino]-N-(3,5-dimethylphenyl)propanamide
CID 17225585
3-[(4-bromophenyl)sulfonylamino]-N-(3-fluorophenyl)propanamide
CID 2576569
(2S)-2-[(4-bromophenyl)sulfonylamino]-N-(2,4,5-trichlorophenyl)propanamide
CID 41330979
N-(2-chlorophenyl)-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 17192162
N-[4-[3-[(4-bromophenyl)sulfonylamino]propanoylamino]phenyl]-3-methylbutanamide
CID 33033362
3-[(4-bromophenyl)sulfonylamino]-N-(4-methylsulfanylphenyl)propanamide
CID 42369215

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromophenyl)sulfonylamino]-N-(2,4,5-trichlorophenyl)propanamide?
The IUPAC name of 3-[(4-bromophenyl)sulfonylamino]-N-(2,4,5-trichlorophenyl)propanamide (CID 17192350) is 3-[(4-bromophenyl)sulfonylamino]-N-(2,4,5-trichlorophenyl)propanamide.
What is the SMILES notation for 3-[(4-bromophenyl)sulfonylamino]-N-(2,4,5-trichlorophenyl)propanamide?
The canonical SMILES for 3-[(4-bromophenyl)sulfonylamino]-N-(2,4,5-trichlorophenyl)propanamide is O=C(CCNS(=O)(=O)c1ccc(Br)cc1)Nc1cc(Cl)c(Cl)cc1Cl.
What is the InChIKey of 3-[(4-bromophenyl)sulfonylamino]-N-(2,4,5-trichlorophenyl)propanamide?
The InChIKey is NBXHGLVTBQJVBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrCl3N2O3S/c16-9-1-3-10(4-2-9)25(23,24)20-6-5-15(22)21-14-8-12(18)11(17)7-13(14)19/h1-4,7-8,20H,5-6H2,(H,21,22).
What are the key properties of 3-[(4-bromophenyl)sulfonylamino]-N-(2,4,5-trichlorophenyl)propanamide?
3-[(4-bromophenyl)sulfonylamino]-N-(2,4,5-trichlorophenyl)propanamide has a molecular weight of 486.60 g/mol, XLogP of 4.72, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromophenyl)sulfonylamino]-N-(2,4,5-trichlorophenyl)propanamide is sourced from PubChem (CID 17192350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).