2,3,4,5-tetrachloro-6-hydroxy-N-(2,3,5-trichlorophenyl)benzenesulfonamide

C12H4Cl7NO3S — CID 22763219

IUPAC2,3,4,5-tetrachloro-6-hydroxy-N-(2,3,5-trichlorophenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cc(Cl)cc(Cl)c1Cl)c1c(O)c(Cl)c(Cl)c(Cl)c1Cl
InChIInChI=1S/C12H4Cl7NO3S/c13-3-1-4(14)6(15)5(2-3)20-24(22,23)12-10(19)8(17)7(16)9(18)11(12)21/h1-2,20-21H
InChIKeyGYDDBFJJDFJOOW-UHFFFAOYSA-N
MW490.41 g/mol
LogP6.77
Rot. Bonds3

About 2,3,4,5-tetrachloro-6-hydroxy-N-(2,3,5-trichlorophenyl)benzenesulfonamide

2,3,4,5-tetrachloro-6-hydroxy-N-(2,3,5-trichlorophenyl)benzenesulfonamide (PubChem CID 22763219) has the molecular formula C12H4Cl7NO3S and a molecular weight of 490.41 g/mol. Its IUPAC name is 2,3,4,5-tetrachloro-6-hydroxy-N-(2,3,5-trichlorophenyl)benzenesulfonamide.

Molecular Properties

Compound Name2,3,4,5-tetrachloro-6-hydroxy-N-(2,3,5-trichlorophenyl)benzenesulfonamide
PubChem CID22763219
Molecular FormulaC12H4Cl7NO3S
Molecular Weight490.41 g/mol
Exact Mass486.77
IUPAC Name2,3,4,5-tetrachloro-6-hydroxy-N-(2,3,5-trichlorophenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cc(Cl)cc(Cl)c1Cl)c1c(O)c(Cl)c(Cl)c(Cl)c1Cl
InChIInChI=1S/C12H4Cl7NO3S/c13-3-1-4(14)6(15)5(2-3)20-24(22,23)12-10(19)8(17)7(16)9(18)11(12)21/h1-2,20-21H
InChIKeyGYDDBFJJDFJOOW-UHFFFAOYSA-N
XLogP6.77
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.41
LogP ≤ 56.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

3,5-dichloro-2-hydroxy-N-(2,3,4,5-tetrachlorophenyl)benzenesulfonamide
CID 22763232
sulfuric acid;(2,3,5-trichlorophenyl)hydrazine
CID 138619800
2,3,5-trichloro-6-hydroxy-N-phenylbenzenesulfonamide
CID 23275594
2-amino-4,6-dichloro-N-(2,4-dichlorophenyl)benzenesulfonamide
CID 43256363
2-amino-4,6-dichloro-N-(5-chloro-2-methylphenyl)benzenesulfonamide
CID 43256501
N-(5-bromo-2-methylphenyl)-3,5-dichloro-2-hydroxybenzenesulfonamide
CID 3697865
(2,3,5-trichlorophenyl)hydrazine;hydrochloride
CID 138620060
2,3,5-trichloro-N-(3,5-dichloro-2-hydroxyphenyl)-6-hydroxybenzamide
CID 21431939
2-amino-4,6-dichloro-N-(2-methoxyphenyl)benzenesulfonamide
CID 43256321
[3,4,6-trichloro-2-[(2,4,5-trichlorophenyl)sulfamoyl]phenyl] propanoate
CID 22763225
3,5-dichloro-2-hydroxy-N-(2-methoxy-4-phenylphenyl)benzenesulfonamide
CID 146545964
2,4,6-trichloro-N-[4-(hydroxymethyl)phenyl]benzenesulfonamide
CID 64794514

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetrachloro-6-hydroxy-N-(2,3,5-trichlorophenyl)benzenesulfonamide?
The IUPAC name of 2,3,4,5-tetrachloro-6-hydroxy-N-(2,3,5-trichlorophenyl)benzenesulfonamide (CID 22763219) is 2,3,4,5-tetrachloro-6-hydroxy-N-(2,3,5-trichlorophenyl)benzenesulfonamide.
What is the SMILES notation for 2,3,4,5-tetrachloro-6-hydroxy-N-(2,3,5-trichlorophenyl)benzenesulfonamide?
The canonical SMILES for 2,3,4,5-tetrachloro-6-hydroxy-N-(2,3,5-trichlorophenyl)benzenesulfonamide is O=S(=O)(Nc1cc(Cl)cc(Cl)c1Cl)c1c(O)c(Cl)c(Cl)c(Cl)c1Cl.
What is the InChIKey of 2,3,4,5-tetrachloro-6-hydroxy-N-(2,3,5-trichlorophenyl)benzenesulfonamide?
The InChIKey is GYDDBFJJDFJOOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H4Cl7NO3S/c13-3-1-4(14)6(15)5(2-3)20-24(22,23)12-10(19)8(17)7(16)9(18)11(12)21/h1-2,20-21H.
What are the key properties of 2,3,4,5-tetrachloro-6-hydroxy-N-(2,3,5-trichlorophenyl)benzenesulfonamide?
2,3,4,5-tetrachloro-6-hydroxy-N-(2,3,5-trichlorophenyl)benzenesulfonamide has a molecular weight of 490.41 g/mol, XLogP of 6.77, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetrachloro-6-hydroxy-N-(2,3,5-trichlorophenyl)benzenesulfonamide is sourced from PubChem (CID 22763219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).