2-(2,4,5-trichloro-N-(2,5-dichlorophenyl)sulfonylanilino)acetamide

C14H9Cl5N2O3S — CID 50895755

IUPAC2-(2,4,5-trichloro-N-(2,5-dichlorophenyl)sulfonylanilino)acetamide
SMILESNC(=O)CN(c1cc(Cl)c(Cl)cc1Cl)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H9Cl5N2O3S/c15-7-1-2-8(16)13(3-7)25(23,24)21(6-14(20)22)12-5-10(18)9(17)4-11(12)19/h1-5H,6H2,(H2,20,22)
InChIKeyJKCLYUUDMUJVIV-UHFFFAOYSA-N
MW462.57 g/mol
LogP4.63
Rot. Bonds5

About 2-(2,4,5-trichloro-N-(2,5-dichlorophenyl)sulfonylanilino)acetamide

2-(2,4,5-trichloro-N-(2,5-dichlorophenyl)sulfonylanilino)acetamide (PubChem CID 50895755) has the molecular formula C14H9Cl5N2O3S and a molecular weight of 462.57 g/mol. Its IUPAC name is 2-(2,4,5-trichloro-N-(2,5-dichlorophenyl)sulfonylanilino)acetamide.

Molecular Properties

Compound Name2-(2,4,5-trichloro-N-(2,5-dichlorophenyl)sulfonylanilino)acetamide
PubChem CID50895755
Molecular FormulaC14H9Cl5N2O3S
Molecular Weight462.57 g/mol
Exact Mass459.88
IUPAC Name2-(2,4,5-trichloro-N-(2,5-dichlorophenyl)sulfonylanilino)acetamide
SMILESNC(=O)CN(c1cc(Cl)c(Cl)cc1Cl)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H9Cl5N2O3S/c15-7-1-2-8(16)13(3-7)25(23,24)21(6-14(20)22)12-5-10(18)9(17)4-11(12)19/h1-5H,6H2,(H2,20,22)
InChIKeyJKCLYUUDMUJVIV-UHFFFAOYSA-N
XLogP4.63
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.57
LogP ≤ 54.63
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-(3-chloro-N-(2,5-dichlorophenyl)sulfonyl-2-methylanilino)acetamide
CID 50895797
2-(N-(2,5-dichlorophenyl)sulfonylanilino)acetamide
CID 50889600
2-[N-(benzenesulfonyl)-2,4,5-trichloroanilino]acetamide
CID 50895400
2-(2,4-dichloro-N-(2,5-dichlorophenyl)sulfonylanilino)acetyl chloride
CID 50892681
2-(N-(2,5-dichlorophenyl)sulfonyl-3-methylanilino)acetamide
CID 50889999
2-(N-(4-bromophenyl)sulfonyl-2,4,5-trichloroanilino)acetamide
CID 50895749
2-(2,3-dichloro-N-(2,5-dichlorophenyl)sulfonylanilino)acetyl chloride
CID 50892228
methyl 2-(2,4-dichloro-N-(2,5-dichlorophenyl)sulfonylanilino)acetate
CID 50892663
2-[(2,5-dichlorophenyl)sulfonyl-naphthalen-1-ylamino]acetyl chloride
CID 50893916
2-[2-chloro-N-(2,5-dichlorophenyl)sulfonyl-5-(trifluoromethyl)anilino]acetic acid
CID 50893609
2-(2,5-dichlorophenyl)sulfonylacetamide
CID 13344609
2-[2-chloro-N-(4-chlorophenyl)sulfonyl-5-(trifluoromethyl)anilino]acetamide
CID 50893695

Frequently Asked Questions

What is the IUPAC name of 2-(2,4,5-trichloro-N-(2,5-dichlorophenyl)sulfonylanilino)acetamide?
The IUPAC name of 2-(2,4,5-trichloro-N-(2,5-dichlorophenyl)sulfonylanilino)acetamide (CID 50895755) is 2-(2,4,5-trichloro-N-(2,5-dichlorophenyl)sulfonylanilino)acetamide.
What is the SMILES notation for 2-(2,4,5-trichloro-N-(2,5-dichlorophenyl)sulfonylanilino)acetamide?
The canonical SMILES for 2-(2,4,5-trichloro-N-(2,5-dichlorophenyl)sulfonylanilino)acetamide is NC(=O)CN(c1cc(Cl)c(Cl)cc1Cl)S(=O)(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2-(2,4,5-trichloro-N-(2,5-dichlorophenyl)sulfonylanilino)acetamide?
The InChIKey is JKCLYUUDMUJVIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl5N2O3S/c15-7-1-2-8(16)13(3-7)25(23,24)21(6-14(20)22)12-5-10(18)9(17)4-11(12)19/h1-5H,6H2,(H2,20,22).
What are the key properties of 2-(2,4,5-trichloro-N-(2,5-dichlorophenyl)sulfonylanilino)acetamide?
2-(2,4,5-trichloro-N-(2,5-dichlorophenyl)sulfonylanilino)acetamide has a molecular weight of 462.57 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4,5-trichloro-N-(2,5-dichlorophenyl)sulfonylanilino)acetamide is sourced from PubChem (CID 50895755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).