2-(N-(4-bromophenyl)sulfonyl-2,4,5-trichloroanilino)acetamide

C14H10BrCl3N2O3S — CID 50895749

IUPAC2-(N-(4-bromophenyl)sulfonyl-2,4,5-trichloroanilino)acetamide
SMILESNC(=O)CN(c1cc(Cl)c(Cl)cc1Cl)S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C14H10BrCl3N2O3S/c15-8-1-3-9(4-2-8)24(22,23)20(7-14(19)21)13-6-11(17)10(16)5-12(13)18/h1-6H,7H2,(H2,19,21)
InChIKeyLFODWEYFRAKVBD-UHFFFAOYSA-N
MW472.58 g/mol
LogP4.09
Rot. Bonds5

About 2-(N-(4-bromophenyl)sulfonyl-2,4,5-trichloroanilino)acetamide

2-(N-(4-bromophenyl)sulfonyl-2,4,5-trichloroanilino)acetamide (PubChem CID 50895749) has the molecular formula C14H10BrCl3N2O3S and a molecular weight of 472.58 g/mol. Its IUPAC name is 2-(N-(4-bromophenyl)sulfonyl-2,4,5-trichloroanilino)acetamide.

Molecular Properties

Compound Name2-(N-(4-bromophenyl)sulfonyl-2,4,5-trichloroanilino)acetamide
PubChem CID50895749
Molecular FormulaC14H10BrCl3N2O3S
Molecular Weight472.58 g/mol
Exact Mass469.87
IUPAC Name2-(N-(4-bromophenyl)sulfonyl-2,4,5-trichloroanilino)acetamide
SMILESNC(=O)CN(c1cc(Cl)c(Cl)cc1Cl)S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C14H10BrCl3N2O3S/c15-8-1-3-9(4-2-8)24(22,23)20(7-14(19)21)13-6-11(17)10(16)5-12(13)18/h1-6H,7H2,(H2,19,21)
InChIKeyLFODWEYFRAKVBD-UHFFFAOYSA-N
XLogP4.09
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.58
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[N-(benzenesulfonyl)-2,4,5-trichloroanilino]acetamide
CID 50895400
2-(2,4,5-trichloro-N-(2,5-dichlorophenyl)sulfonylanilino)acetamide
CID 50895755
2-(N-(4-bromophenyl)sulfonyl-2,4-dichloroanilino)acetic acid
CID 50892250
2-(N-(4-bromophenyl)sulfonyl-2-ethoxyanilino)acetamide
CID 50893491
2-(2,4,5-trichloro-N-(4-fluorophenyl)sulfonylanilino)acetyl chloride
CID 50895753
ethyl 2-(4-bromo-N-(4-bromophenyl)sulfonyl-2-chloroanilino)acetate
CID 50893261
2-(N-(4-bromophenyl)sulfonyl-2,5-dimethoxyanilino)acetamide
CID 50895197
2-(4-bromo-2-chloro-N-methylsulfonylanilino)acetamide
CID 50893257
2-(N-(4-bromophenyl)sulfonyl-4-fluoroanilino)acetamide
CID 50890571
2-[N-(benzenesulfonyl)-4-bromoanilino]acetamide
CID 1099916
4-bromo-N-(2,3-dichlorophenyl)-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide
CID 50892385
2-[2-chloro-N-(4-chlorophenyl)sulfonyl-5-(trifluoromethyl)anilino]acetamide
CID 50893695

Frequently Asked Questions

What is the IUPAC name of 2-(N-(4-bromophenyl)sulfonyl-2,4,5-trichloroanilino)acetamide?
The IUPAC name of 2-(N-(4-bromophenyl)sulfonyl-2,4,5-trichloroanilino)acetamide (CID 50895749) is 2-(N-(4-bromophenyl)sulfonyl-2,4,5-trichloroanilino)acetamide.
What is the SMILES notation for 2-(N-(4-bromophenyl)sulfonyl-2,4,5-trichloroanilino)acetamide?
The canonical SMILES for 2-(N-(4-bromophenyl)sulfonyl-2,4,5-trichloroanilino)acetamide is NC(=O)CN(c1cc(Cl)c(Cl)cc1Cl)S(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 2-(N-(4-bromophenyl)sulfonyl-2,4,5-trichloroanilino)acetamide?
The InChIKey is LFODWEYFRAKVBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrCl3N2O3S/c15-8-1-3-9(4-2-8)24(22,23)20(7-14(19)21)13-6-11(17)10(16)5-12(13)18/h1-6H,7H2,(H2,19,21).
What are the key properties of 2-(N-(4-bromophenyl)sulfonyl-2,4,5-trichloroanilino)acetamide?
2-(N-(4-bromophenyl)sulfonyl-2,4,5-trichloroanilino)acetamide has a molecular weight of 472.58 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(4-bromophenyl)sulfonyl-2,4,5-trichloroanilino)acetamide is sourced from PubChem (CID 50895749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).