N-cyclohexyl-4-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]benzenesulfonamide

C19H20Cl2N2O3S — CID 1015011

IUPACN-cyclohexyl-4-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]benzenesulfonamide
SMILESO=S(=O)(NC1CCCCC1)c1ccc(/N=C/c2cc(Cl)cc(Cl)c2O)cc1
InChIInChI=1S/C19H20Cl2N2O3S/c20-14-10-13(19(24)18(21)11-14)12-22-15-6-8-17(9-7-15)27(25,26)23-16-4-2-1-3-5-16/h6-12,16,23-24H,1-5H2/b22-12+
InChIKeyXUFFUKKRWSPSCD-WSDLNYQXSA-N
MW427.35 g/mol
LogP5.06
Rot. Bonds5

About N-cyclohexyl-4-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]benzenesulfonamide

N-cyclohexyl-4-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]benzenesulfonamide (PubChem CID 1015011) has the molecular formula C19H20Cl2N2O3S and a molecular weight of 427.35 g/mol. Its IUPAC name is N-cyclohexyl-4-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]benzenesulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-4-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]benzenesulfonamide
PubChem CID1015011
Molecular FormulaC19H20Cl2N2O3S
Molecular Weight427.35 g/mol
Exact Mass426.06
IUPAC NameN-cyclohexyl-4-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]benzenesulfonamide
SMILESO=S(=O)(NC1CCCCC1)c1ccc(/N=C/c2cc(Cl)cc(Cl)c2O)cc1
InChIInChI=1S/C19H20Cl2N2O3S/c20-14-10-13(19(24)18(21)11-14)12-22-15-6-8-17(9-7-15)27(25,26)23-16-4-2-1-3-5-16/h6-12,16,23-24H,1-5H2/b22-12+
InChIKeyXUFFUKKRWSPSCD-WSDLNYQXSA-N
XLogP5.06
TPSA78.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.35
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-N-(4-fluorophenyl)benzenesulfonamide
CID 1272124
4-(anthracen-9-ylmethylideneamino)-N-cyclohexylbenzenesulfonamide
CID 3375011
2,4-dichloro-6-[(3-chlorophenyl)iminomethyl]phenol
CID 710336
2,4-dichloro-6-[[(1R,2S)-2-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol
CID 2265555
sodium 4-(cyclohexylsulfamoyl)benzoate
CID 122705986
4-amino-N-cyclodecylbenzenesulfonamide
CID 90455423
2-[2-chloro-4-(cyclohexylsulfamoyl)phenoxy]acetate
CID 6957749
N-cyclohexyl-3,4-difluorobenzenesulfonamide
CID 19681091
5-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]isoindole-1,3-dione
CID 1409765
N-[4-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]phenyl]-2-hydroxybenzamide
CID 2725439
1-(2,4-dichlorophenyl)-N-[4-[4-[(2,4-dichlorophenyl)methylideneamino]phenyl]sulfonylphenyl]methanimine
CID 3091569
4-(azepan-1-ylsulfonyl)-N-cyclohexylbenzenesulfonamide
CID 1167072

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]benzenesulfonamide?
The IUPAC name of N-cyclohexyl-4-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]benzenesulfonamide (CID 1015011) is N-cyclohexyl-4-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]benzenesulfonamide.
What is the SMILES notation for N-cyclohexyl-4-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]benzenesulfonamide?
The canonical SMILES for N-cyclohexyl-4-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]benzenesulfonamide is O=S(=O)(NC1CCCCC1)c1ccc(/N=C/c2cc(Cl)cc(Cl)c2O)cc1.
What is the InChIKey of N-cyclohexyl-4-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]benzenesulfonamide?
The InChIKey is XUFFUKKRWSPSCD-WSDLNYQXSA-N. The full InChI is InChI=1S/C19H20Cl2N2O3S/c20-14-10-13(19(24)18(21)11-14)12-22-15-6-8-17(9-7-15)27(25,26)23-16-4-2-1-3-5-16/h6-12,16,23-24H,1-5H2/b22-12+.
What are the key properties of N-cyclohexyl-4-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]benzenesulfonamide?
N-cyclohexyl-4-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]benzenesulfonamide has a molecular weight of 427.35 g/mol, XLogP of 5.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]benzenesulfonamide is sourced from PubChem (CID 1015011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).