2,6-dichloro-4-[[2-(4-chlorophenyl)sulfonylphenyl]methylamino]phenol

C19H14Cl3NO3S — CID 69012492

IUPAC2,6-dichloro-4-[[2-(4-chlorophenyl)sulfonylphenyl]methylamino]phenol
SMILESO=S(=O)(c1ccc(Cl)cc1)c1ccccc1CNc1cc(Cl)c(O)c(Cl)c1
InChIInChI=1S/C19H14Cl3NO3S/c20-13-5-7-15(8-6-13)27(25,26)18-4-2-1-3-12(18)11-23-14-9-16(21)19(24)17(22)10-14/h1-10,23-24H,11H2
InChIKeyMNFZNGCRYNICLL-UHFFFAOYSA-N
MW442.75 g/mol
LogP5.80
Rot. Bonds5

About 2,6-dichloro-4-[[2-(4-chlorophenyl)sulfonylphenyl]methylamino]phenol

2,6-dichloro-4-[[2-(4-chlorophenyl)sulfonylphenyl]methylamino]phenol (PubChem CID 69012492) has the molecular formula C19H14Cl3NO3S and a molecular weight of 442.75 g/mol. Its IUPAC name is 2,6-dichloro-4-[[2-(4-chlorophenyl)sulfonylphenyl]methylamino]phenol.

Molecular Properties

Compound Name2,6-dichloro-4-[[2-(4-chlorophenyl)sulfonylphenyl]methylamino]phenol
PubChem CID69012492
Molecular FormulaC19H14Cl3NO3S
Molecular Weight442.75 g/mol
Exact Mass440.98
IUPAC Name2,6-dichloro-4-[[2-(4-chlorophenyl)sulfonylphenyl]methylamino]phenol
SMILESO=S(=O)(c1ccc(Cl)cc1)c1ccccc1CNc1cc(Cl)c(O)c(Cl)c1
InChIInChI=1S/C19H14Cl3NO3S/c20-13-5-7-15(8-6-13)27(25,26)18-4-2-1-3-12(18)11-23-14-9-16(21)19(24)17(22)10-14/h1-10,23-24H,11H2
InChIKeyMNFZNGCRYNICLL-UHFFFAOYSA-N
XLogP5.80
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.75
LogP ≤ 55.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[[2-(4-chlorophenyl)sulfonylphenyl]methylamino]-2,6-difluorophenol
CID 69012189
4-[[2-(4-chlorophenyl)sulfonylphenyl]methylamino]-2-fluorophenol
CID 69013367
1-[3-chloro-2-hydroxy-5-[[2-(4-methylphenyl)sulfanylphenyl]methylamino]phenyl]ethanone;1-[3-chloro-2-hydroxy-5-[(2-phenylsulfanylphenyl)methylamino]phenyl]ethanone;4-[[2-(4-chlorophenyl)sulfonylphenyl]methylamino]-2-(hydroxymethyl)phenol
CID 87963957
N-[2-[(3,5-dichloro-4-hydroxyanilino)methyl]phenyl]acetamide
CID 107679126
2-[(3,5-dichloro-4-hydroxyanilino)methyl]benzonitrile
CID 107936058
2-[[5-amino-2-(4-chlorophenyl)sulfanylphenyl]methylamino]-6-(hydroxymethyl)phenol;2-[[2-(4-chlorophenyl)sulfonylphenyl]methylamino]-6-(hydroxymethyl)phenol
CID 160597287
3-[(3-chloro-2-hydroxyphenyl)methylamino]benzenesulfonamide
CID 115950963
4-chloro-N-[(2-chlorophenyl)methyl]benzenesulfonamide
CID 2492101
2-[(3,4-dichloroanilino)methyl]phenol
CID 5078127
4-[(4-bromo-2-chlorophenyl)methylamino]-2,6-dichlorophenol
CID 107678962
4-(benzenesulfonyl)-2-(4-chlorophenyl)sulfonylphenol
CID 19710946
1-[[2-(benzenesulfonyl)phenyl]methyl]-2-phenylhydrazine
CID 169385347

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-[[2-(4-chlorophenyl)sulfonylphenyl]methylamino]phenol?
The IUPAC name of 2,6-dichloro-4-[[2-(4-chlorophenyl)sulfonylphenyl]methylamino]phenol (CID 69012492) is 2,6-dichloro-4-[[2-(4-chlorophenyl)sulfonylphenyl]methylamino]phenol.
What is the SMILES notation for 2,6-dichloro-4-[[2-(4-chlorophenyl)sulfonylphenyl]methylamino]phenol?
The canonical SMILES for 2,6-dichloro-4-[[2-(4-chlorophenyl)sulfonylphenyl]methylamino]phenol is O=S(=O)(c1ccc(Cl)cc1)c1ccccc1CNc1cc(Cl)c(O)c(Cl)c1.
What is the InChIKey of 2,6-dichloro-4-[[2-(4-chlorophenyl)sulfonylphenyl]methylamino]phenol?
The InChIKey is MNFZNGCRYNICLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl3NO3S/c20-13-5-7-15(8-6-13)27(25,26)18-4-2-1-3-12(18)11-23-14-9-16(21)19(24)17(22)10-14/h1-10,23-24H,11H2.
What are the key properties of 2,6-dichloro-4-[[2-(4-chlorophenyl)sulfonylphenyl]methylamino]phenol?
2,6-dichloro-4-[[2-(4-chlorophenyl)sulfonylphenyl]methylamino]phenol has a molecular weight of 442.75 g/mol, XLogP of 5.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-[[2-(4-chlorophenyl)sulfonylphenyl]methylamino]phenol is sourced from PubChem (CID 69012492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).