2-[N-(benzenesulfonyl)-2,4,5-trichloroanilino]acetamide

C14H11Cl3N2O3S — CID 50895400

IUPAC2-[N-(benzenesulfonyl)-2,4,5-trichloroanilino]acetamide
SMILESNC(=O)CN(c1cc(Cl)c(Cl)cc1Cl)S(=O)(=O)c1ccccc1
InChIInChI=1S/C14H11Cl3N2O3S/c15-10-6-12(17)13(7-11(10)16)19(8-14(18)20)23(21,22)9-4-2-1-3-5-9/h1-7H,8H2,(H2,18,20)
InChIKeyITXPCAUHGFWIGK-UHFFFAOYSA-N
MW393.68 g/mol
LogP3.33
Rot. Bonds5

About 2-[N-(benzenesulfonyl)-2,4,5-trichloroanilino]acetamide

2-[N-(benzenesulfonyl)-2,4,5-trichloroanilino]acetamide (PubChem CID 50895400) has the molecular formula C14H11Cl3N2O3S and a molecular weight of 393.68 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-2,4,5-trichloroanilino]acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-2,4,5-trichloroanilino]acetamide
PubChem CID50895400
Molecular FormulaC14H11Cl3N2O3S
Molecular Weight393.68 g/mol
Exact Mass391.96
IUPAC Name2-[N-(benzenesulfonyl)-2,4,5-trichloroanilino]acetamide
SMILESNC(=O)CN(c1cc(Cl)c(Cl)cc1Cl)S(=O)(=O)c1ccccc1
InChIInChI=1S/C14H11Cl3N2O3S/c15-10-6-12(17)13(7-11(10)16)19(8-14(18)20)23(21,22)9-4-2-1-3-5-9/h1-7H,8H2,(H2,18,20)
InChIKeyITXPCAUHGFWIGK-UHFFFAOYSA-N
XLogP3.33
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.68
LogP ≤ 53.33
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-(4-bromophenyl)sulfonyl-2,4,5-trichloroanilino)acetamide
CID 50895749
2-[N-(benzenesulfonyl)-3,4-dichloroanilino]acetamide
CID 1357141
propan-2-yl 2-[N-(benzenesulfonyl)-2,4,5-trichloroanilino]acetate
CID 50895363
2-(2,4,5-trichloro-N-(2,5-dichlorophenyl)sulfonylanilino)acetamide
CID 50895755
2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]acetamide
CID 1102414
2-(2,4,5-trichloro-N-(4-fluorophenyl)sulfonylanilino)acetyl chloride
CID 50895753
2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]acetamide
CID 1372382
2-[N-(benzenesulfonyl)-2,5-dichloroanilino]acetate
CID 8705400
2-(N-(4-chlorophenyl)sulfonyl-2-propan-2-ylanilino)acetamide
CID 50893600
2-[N-(benzenesulfonyl)-4-bromoanilino]acetamide
CID 1099916
2-[N-(benzenesulfonyl)-2-chloroanilino]-N-methylacetamide
CID 846509
2-[2-chloro-N-(4-chlorophenyl)sulfonyl-5-(trifluoromethyl)anilino]acetamide
CID 50893695

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-2,4,5-trichloroanilino]acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-2,4,5-trichloroanilino]acetamide (CID 50895400) is 2-[N-(benzenesulfonyl)-2,4,5-trichloroanilino]acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-2,4,5-trichloroanilino]acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-2,4,5-trichloroanilino]acetamide is NC(=O)CN(c1cc(Cl)c(Cl)cc1Cl)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-2,4,5-trichloroanilino]acetamide?
The InChIKey is ITXPCAUHGFWIGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl3N2O3S/c15-10-6-12(17)13(7-11(10)16)19(8-14(18)20)23(21,22)9-4-2-1-3-5-9/h1-7H,8H2,(H2,18,20).
What are the key properties of 2-[N-(benzenesulfonyl)-2,4,5-trichloroanilino]acetamide?
2-[N-(benzenesulfonyl)-2,4,5-trichloroanilino]acetamide has a molecular weight of 393.68 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-2,4,5-trichloroanilino]acetamide is sourced from PubChem (CID 50895400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).