2,4,5-trichloro-N-(3,4-dichlorophenyl)benzenesulfonamide

C12H6Cl5NO2S — CID 22773572

IUPAC2,4,5-trichloro-N-(3,4-dichlorophenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Cl)c(Cl)c1)c1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C12H6Cl5NO2S/c13-7-2-1-6(3-8(7)14)18-21(19,20)12-5-10(16)9(15)4-11(12)17/h1-5,18H
InChIKeyJQKCEYWWPGEMGF-UHFFFAOYSA-N
MW405.52 g/mol
LogP5.75
Rot. Bonds3

About 2,4,5-trichloro-N-(3,4-dichlorophenyl)benzenesulfonamide

2,4,5-trichloro-N-(3,4-dichlorophenyl)benzenesulfonamide (PubChem CID 22773572) has the molecular formula C12H6Cl5NO2S and a molecular weight of 405.52 g/mol. Its IUPAC name is 2,4,5-trichloro-N-(3,4-dichlorophenyl)benzenesulfonamide.

Molecular Properties

Compound Name2,4,5-trichloro-N-(3,4-dichlorophenyl)benzenesulfonamide
PubChem CID22773572
Molecular FormulaC12H6Cl5NO2S
Molecular Weight405.52 g/mol
Exact Mass402.86
IUPAC Name2,4,5-trichloro-N-(3,4-dichlorophenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Cl)c(Cl)c1)c1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C12H6Cl5NO2S/c13-7-2-1-6(3-8(7)14)18-21(19,20)12-5-10(16)9(15)4-11(12)17/h1-5,18H
InChIKeyJQKCEYWWPGEMGF-UHFFFAOYSA-N
XLogP5.75
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.52
LogP ≤ 55.75
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

2,4,5-trichloro-N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 22202651
5-(aminomethyl)-2-chloro-N-(3,4-dichlorophenyl)benzenesulfonamide
CID 106059474
2,4,5-trichloro-N-[4-(dimethylamino)phenyl]benzenesulfonamide
CID 22774991
2,4,5-trichloro-N-(3-hydroxyphenyl)benzenesulfonamide
CID 39845466
4-[(2,4,5-trichlorophenyl)sulfonylamino]benzoate
CID 7477012
2,4,5-trichloro-N-[4-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 22203302
N-(3,4-dichlorophenyl)-4-fluorobenzenesulfonamide
CID 711099
N-(4-butylphenyl)-2,4,5-trichlorobenzenesulfonamide
CID 22773924
2-(aminomethyl)-N-(3,4-dichlorophenyl)thiophene-3-sulfonamide
CID 106059491
2,4,5-trichloro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzenesulfonamide
CID 3577500
3-amino-5-bromo-N-(3,4-dichlorophenyl)-2-methylbenzenesulfonamide
CID 114378718
N-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-2,5-dimethylbenzenesulfonamide
CID 22202667

Frequently Asked Questions

What is the IUPAC name of 2,4,5-trichloro-N-(3,4-dichlorophenyl)benzenesulfonamide?
The IUPAC name of 2,4,5-trichloro-N-(3,4-dichlorophenyl)benzenesulfonamide (CID 22773572) is 2,4,5-trichloro-N-(3,4-dichlorophenyl)benzenesulfonamide.
What is the SMILES notation for 2,4,5-trichloro-N-(3,4-dichlorophenyl)benzenesulfonamide?
The canonical SMILES for 2,4,5-trichloro-N-(3,4-dichlorophenyl)benzenesulfonamide is O=S(=O)(Nc1ccc(Cl)c(Cl)c1)c1cc(Cl)c(Cl)cc1Cl.
What is the InChIKey of 2,4,5-trichloro-N-(3,4-dichlorophenyl)benzenesulfonamide?
The InChIKey is JQKCEYWWPGEMGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl5NO2S/c13-7-2-1-6(3-8(7)14)18-21(19,20)12-5-10(16)9(15)4-11(12)17/h1-5,18H.
What are the key properties of 2,4,5-trichloro-N-(3,4-dichlorophenyl)benzenesulfonamide?
2,4,5-trichloro-N-(3,4-dichlorophenyl)benzenesulfonamide has a molecular weight of 405.52 g/mol, XLogP of 5.75, 3 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-(3,4-dichlorophenyl)benzenesulfonamide is sourced from PubChem (CID 22773572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).