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

C19H14ClF2NO3S — CID 69012189

IUPAC4-[[2-(4-chlorophenyl)sulfonylphenyl]methylamino]-2,6-difluorophenol
SMILESO=S(=O)(c1ccc(Cl)cc1)c1ccccc1CNc1cc(F)c(O)c(F)c1
InChIInChI=1S/C19H14ClF2NO3S/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
InChIKeyCZDIFDDYYBPQIP-UHFFFAOYSA-N
MW409.84 g/mol
LogP4.77
Rot. Bonds5

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

4-[[2-(4-chlorophenyl)sulfonylphenyl]methylamino]-2,6-difluorophenol (PubChem CID 69012189) has the molecular formula C19H14ClF2NO3S and a molecular weight of 409.84 g/mol. Its IUPAC name is 4-[[2-(4-chlorophenyl)sulfonylphenyl]methylamino]-2,6-difluorophenol.

Molecular Properties

Compound Name4-[[2-(4-chlorophenyl)sulfonylphenyl]methylamino]-2,6-difluorophenol
PubChem CID69012189
Molecular FormulaC19H14ClF2NO3S
Molecular Weight409.84 g/mol
Exact Mass409.04
IUPAC Name4-[[2-(4-chlorophenyl)sulfonylphenyl]methylamino]-2,6-difluorophenol
SMILESO=S(=O)(c1ccc(Cl)cc1)c1ccccc1CNc1cc(F)c(O)c(F)c1
InChIInChI=1S/C19H14ClF2NO3S/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
InChIKeyCZDIFDDYYBPQIP-UHFFFAOYSA-N
XLogP4.77
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.84
LogP ≤ 54.77
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

2,6-dichloro-4-[[2-(4-chlorophenyl)sulfonylphenyl]methylamino]phenol
CID 69012492
4-[[2-(4-chlorophenyl)sulfonylphenyl]methylamino]-2-fluorophenol
CID 69013367
4-[[2-(4-chlorophenyl)sulfanyl-5-nitrophenyl]methylamino]-2,6-difluorophenol
CID 69012664
2-[[5-amino-2-(4-chlorophenyl)sulfanylphenyl]methylamino]-6-(hydroxymethyl)phenol;2-[[2-(4-chlorophenyl)sulfonylphenyl]methylamino]-6-(hydroxymethyl)phenol
CID 160597287
2-[(4-chloro-3-fluoroanilino)methyl]phenol
CID 4913246
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
3-[[2-(4-chlorophenyl)sulfonylphenyl]methylamino]-2-hydroxybenzoic acid;2-fluoro-6-[[2-(4-methylphenyl)sulfanylphenyl]methylamino]-4-nitrophenol;2-fluoro-4-nitro-6-[(2-phenylsulfanylphenyl)methylamino]phenol
CID 159306966
4-[(2-chloroanilino)methyl]-2,6-difluorophenol
CID 79886747
1-[[2-(benzenesulfonyl)phenyl]methyl]-2-phenylhydrazine
CID 169385347
4-(benzenesulfonyl)-2-(4-chlorophenyl)sulfonylphenol
CID 19710946
2-chloro-6-[(3-fluoro-4-methylanilino)methyl]phenol
CID 112553733
N-[(2-ethylphenyl)methyl]-3,4,5-trifluoroaniline
CID 55118736

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-chlorophenyl)sulfonylphenyl]methylamino]-2,6-difluorophenol?
The IUPAC name of 4-[[2-(4-chlorophenyl)sulfonylphenyl]methylamino]-2,6-difluorophenol (CID 69012189) is 4-[[2-(4-chlorophenyl)sulfonylphenyl]methylamino]-2,6-difluorophenol.
What is the SMILES notation for 4-[[2-(4-chlorophenyl)sulfonylphenyl]methylamino]-2,6-difluorophenol?
The canonical SMILES for 4-[[2-(4-chlorophenyl)sulfonylphenyl]methylamino]-2,6-difluorophenol is O=S(=O)(c1ccc(Cl)cc1)c1ccccc1CNc1cc(F)c(O)c(F)c1.
What is the InChIKey of 4-[[2-(4-chlorophenyl)sulfonylphenyl]methylamino]-2,6-difluorophenol?
The InChIKey is CZDIFDDYYBPQIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClF2NO3S/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 4-[[2-(4-chlorophenyl)sulfonylphenyl]methylamino]-2,6-difluorophenol?
4-[[2-(4-chlorophenyl)sulfonylphenyl]methylamino]-2,6-difluorophenol has a molecular weight of 409.84 g/mol, XLogP of 4.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-chlorophenyl)sulfonylphenyl]methylamino]-2,6-difluorophenol is sourced from PubChem (CID 69012189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).