4-(anthracen-9-ylmethylideneamino)-N-cyclohexylbenzenesulfonamide

C27H26N2O2S — CID 3375011

IUPAC4-(anthracen-9-ylmethylideneamino)-N-cyclohexylbenzenesulfonamide
SMILESO=S(=O)(NC1CCCCC1)c1ccc(/N=C/c2c3ccccc3cc3ccccc23)cc1
InChIInChI=1S/C27H26N2O2S/c30-32(31,29-23-10-2-1-3-11-23)24-16-14-22(15-17-24)28-19-27-25-12-6-4-8-20(25)18-21-9-5-7-13-26(21)27/h4-9,12-19,23,29H,1-3,10-11H2/b28-19+
InChIKeyNLPWMYMNQDVACP-TURZUDJPSA-N
MW442.58 g/mol
LogP6.35
Rot. Bonds5

About 4-(anthracen-9-ylmethylideneamino)-N-cyclohexylbenzenesulfonamide

4-(anthracen-9-ylmethylideneamino)-N-cyclohexylbenzenesulfonamide (PubChem CID 3375011) has the molecular formula C27H26N2O2S and a molecular weight of 442.58 g/mol. Its IUPAC name is 4-(anthracen-9-ylmethylideneamino)-N-cyclohexylbenzenesulfonamide.

Molecular Properties

Compound Name4-(anthracen-9-ylmethylideneamino)-N-cyclohexylbenzenesulfonamide
PubChem CID3375011
Molecular FormulaC27H26N2O2S
Molecular Weight442.58 g/mol
Exact Mass442.17
IUPAC Name4-(anthracen-9-ylmethylideneamino)-N-cyclohexylbenzenesulfonamide
SMILESO=S(=O)(NC1CCCCC1)c1ccc(/N=C/c2c3ccccc3cc3ccccc23)cc1
InChIInChI=1S/C27H26N2O2S/c30-32(31,29-23-10-2-1-3-11-23)24-16-14-22(15-17-24)28-19-27-25-12-6-4-8-20(25)18-21-9-5-7-13-26(21)27/h4-9,12-19,23,29H,1-3,10-11H2/b28-19+
InChIKeyNLPWMYMNQDVACP-TURZUDJPSA-N
XLogP6.35
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.58
LogP ≤ 56.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

N-cyclohexyl-4-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]benzenesulfonamide
CID 1015011
sodium 4-(cyclohexylsulfamoyl)benzoate
CID 122705986
N-cyclohexylnaphthalene-1-sulfonamide
CID 3812052
4-amino-N-cyclodecylbenzenesulfonamide
CID 90455423
1-anthracen-9-yl-N-naphthalen-2-ylmethanimine
CID 13497417
1-anthracen-9-yl-N-(3,5-dichlorophenyl)methanimine
CID 4162835
N-cycloheptyl-4-(methylamino)benzenesulfonamide
CID 15049673
N-cyclooctyl-4-(ethylamino)benzenesulfonamide
CID 62150101
N-cyclooctyl-4-propylbenzenesulfonamide
CID 19681104
4-(aminomethyl)-N-cyclohexylbenzenesulfonamide
CID 16781327
N-cyclohexyl-3,4-difluorobenzenesulfonamide
CID 19681091
1-N-cyclohexyl-4-N,4-N-dimethylbenzene-1,4-disulfonamide
CID 859646

Frequently Asked Questions

What is the IUPAC name of 4-(anthracen-9-ylmethylideneamino)-N-cyclohexylbenzenesulfonamide?
The IUPAC name of 4-(anthracen-9-ylmethylideneamino)-N-cyclohexylbenzenesulfonamide (CID 3375011) is 4-(anthracen-9-ylmethylideneamino)-N-cyclohexylbenzenesulfonamide.
What is the SMILES notation for 4-(anthracen-9-ylmethylideneamino)-N-cyclohexylbenzenesulfonamide?
The canonical SMILES for 4-(anthracen-9-ylmethylideneamino)-N-cyclohexylbenzenesulfonamide is O=S(=O)(NC1CCCCC1)c1ccc(/N=C/c2c3ccccc3cc3ccccc23)cc1.
What is the InChIKey of 4-(anthracen-9-ylmethylideneamino)-N-cyclohexylbenzenesulfonamide?
The InChIKey is NLPWMYMNQDVACP-TURZUDJPSA-N. The full InChI is InChI=1S/C27H26N2O2S/c30-32(31,29-23-10-2-1-3-11-23)24-16-14-22(15-17-24)28-19-27-25-12-6-4-8-20(25)18-21-9-5-7-13-26(21)27/h4-9,12-19,23,29H,1-3,10-11H2/b28-19+.
What are the key properties of 4-(anthracen-9-ylmethylideneamino)-N-cyclohexylbenzenesulfonamide?
4-(anthracen-9-ylmethylideneamino)-N-cyclohexylbenzenesulfonamide has a molecular weight of 442.58 g/mol, XLogP of 6.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(anthracen-9-ylmethylideneamino)-N-cyclohexylbenzenesulfonamide is sourced from PubChem (CID 3375011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).