4-chloro-N-(2,4,5-trichlorophenyl)benzenesulfonamide

C12H7Cl4NO2S — CID 985367

IUPAC4-chloro-N-(2,4,5-trichlorophenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cc(Cl)c(Cl)cc1Cl)c1ccc(Cl)cc1
InChIInChI=1S/C12H7Cl4NO2S/c13-7-1-3-8(4-2-7)20(18,19)17-12-6-10(15)9(14)5-11(12)16/h1-6,17H
InChIKeyRFWDFKPDZLKEKU-UHFFFAOYSA-N
MW371.07 g/mol
LogP5.10
Rot. Bonds3

About 4-chloro-N-(2,4,5-trichlorophenyl)benzenesulfonamide

4-chloro-N-(2,4,5-trichlorophenyl)benzenesulfonamide (PubChem CID 985367) has the molecular formula C12H7Cl4NO2S and a molecular weight of 371.07 g/mol. Its IUPAC name is 4-chloro-N-(2,4,5-trichlorophenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(2,4,5-trichlorophenyl)benzenesulfonamide
PubChem CID985367
Molecular FormulaC12H7Cl4NO2S
Molecular Weight371.07 g/mol
Exact Mass368.90
IUPAC Name4-chloro-N-(2,4,5-trichlorophenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cc(Cl)c(Cl)cc1Cl)c1ccc(Cl)cc1
InChIInChI=1S/C12H7Cl4NO2S/c13-7-1-3-8(4-2-7)20(18,19)17-12-6-10(15)9(14)5-11(12)16/h1-6,17H
InChIKeyRFWDFKPDZLKEKU-UHFFFAOYSA-N
XLogP5.10
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.07
LogP ≤ 55.10
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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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2,4,5-trichlorophenyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(2,4,5-trichlorophenyl)benzenesulfonamide (CID 985367) is 4-chloro-N-(2,4,5-trichlorophenyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(2,4,5-trichlorophenyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(2,4,5-trichlorophenyl)benzenesulfonamide is O=S(=O)(Nc1cc(Cl)c(Cl)cc1Cl)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(2,4,5-trichlorophenyl)benzenesulfonamide?
The InChIKey is RFWDFKPDZLKEKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl4NO2S/c13-7-1-3-8(4-2-7)20(18,19)17-12-6-10(15)9(14)5-11(12)16/h1-6,17H.
What are the key properties of 4-chloro-N-(2,4,5-trichlorophenyl)benzenesulfonamide?
4-chloro-N-(2,4,5-trichlorophenyl)benzenesulfonamide has a molecular weight of 371.07 g/mol, XLogP of 5.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2,4,5-trichlorophenyl)benzenesulfonamide is sourced from PubChem (CID 985367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).