2,4,5-trichloro-N-[2-(3-chlorophenyl)ethyl]benzenesulfonamide

C14H11Cl4NO2S — CID 19680921

IUPAC2,4,5-trichloro-N-[2-(3-chlorophenyl)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCc1cccc(Cl)c1)c1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C14H11Cl4NO2S/c15-10-3-1-2-9(6-10)4-5-19-22(20,21)14-8-12(17)11(16)7-13(14)18/h1-3,6-8,19H,4-5H2
InChIKeyRFLSNHMXDVKJJL-UHFFFAOYSA-N
MW399.13 g/mol
LogP4.82
Rot. Bonds5

About 2,4,5-trichloro-N-[2-(3-chlorophenyl)ethyl]benzenesulfonamide

2,4,5-trichloro-N-[2-(3-chlorophenyl)ethyl]benzenesulfonamide (PubChem CID 19680921) has the molecular formula C14H11Cl4NO2S and a molecular weight of 399.13 g/mol. Its IUPAC name is 2,4,5-trichloro-N-[2-(3-chlorophenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4,5-trichloro-N-[2-(3-chlorophenyl)ethyl]benzenesulfonamide
PubChem CID19680921
Molecular FormulaC14H11Cl4NO2S
Molecular Weight399.13 g/mol
Exact Mass396.93
IUPAC Name2,4,5-trichloro-N-[2-(3-chlorophenyl)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCc1cccc(Cl)c1)c1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C14H11Cl4NO2S/c15-10-3-1-2-9(6-10)4-5-19-22(20,21)14-8-12(17)11(16)7-13(14)18/h1-3,6-8,19H,4-5H2
InChIKeyRFLSNHMXDVKJJL-UHFFFAOYSA-N
XLogP4.82
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.13
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-[2-(3-chlorophenyl)ethyl]-2,5-dimethylbenzenesulfonamide
CID 19680922
2,4,5-trichloro-N-(3-phenylpropyl)benzenesulfonamide
CID 19680947
N-[2-(3-chlorophenyl)ethyl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 113098413
N-[2-(3-chlorophenyl)ethyl]-4-fluorobenzenesulfonamide
CID 897615
N-[2-(3-chlorophenyl)ethyl]thiophene-2-sulfonamide
CID 9301774
N-[2-(3-chlorophenyl)ethyl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 19680910
N-[2-(3-chlorophenyl)ethyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 26529237
N-[2-(3-chlorophenyl)ethyl]cyclohexa-1,5-diene-1-sulfonamide
CID 173149770
2,5-dichloro-N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]benzenesulfonamide
CID 3926813
3-amino-4-bromo-N-[2-(3-chlorophenyl)ethyl]benzenesulfonamide
CID 115328936
4-bromo-N-[2-(3-chlorophenyl)ethyl]-3-fluorobenzenesulfonamide
CID 107650102
2-chloro-4-fluoro-N-(2-phenylethyl)benzenesulfonamide
CID 3861915

Frequently Asked Questions

What is the IUPAC name of 2,4,5-trichloro-N-[2-(3-chlorophenyl)ethyl]benzenesulfonamide?
The IUPAC name of 2,4,5-trichloro-N-[2-(3-chlorophenyl)ethyl]benzenesulfonamide (CID 19680921) is 2,4,5-trichloro-N-[2-(3-chlorophenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2,4,5-trichloro-N-[2-(3-chlorophenyl)ethyl]benzenesulfonamide?
The canonical SMILES for 2,4,5-trichloro-N-[2-(3-chlorophenyl)ethyl]benzenesulfonamide is O=S(=O)(NCCc1cccc(Cl)c1)c1cc(Cl)c(Cl)cc1Cl.
What is the InChIKey of 2,4,5-trichloro-N-[2-(3-chlorophenyl)ethyl]benzenesulfonamide?
The InChIKey is RFLSNHMXDVKJJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl4NO2S/c15-10-3-1-2-9(6-10)4-5-19-22(20,21)14-8-12(17)11(16)7-13(14)18/h1-3,6-8,19H,4-5H2.
What are the key properties of 2,4,5-trichloro-N-[2-(3-chlorophenyl)ethyl]benzenesulfonamide?
2,4,5-trichloro-N-[2-(3-chlorophenyl)ethyl]benzenesulfonamide has a molecular weight of 399.13 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trichloro-N-[2-(3-chlorophenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 19680921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).