N-(10H-anthracen-9-ylideneamino)-2,5-dimethylbenzenesulfonamide

C22H20N2O2S — CID 2326133

IUPACN-(10H-anthracen-9-ylideneamino)-2,5-dimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)NN=C2c3ccccc3Cc3ccccc32)c1
InChIInChI=1S/C22H20N2O2S/c1-15-11-12-16(2)21(13-15)27(25,26)24-23-22-19-9-5-3-7-17(19)14-18-8-4-6-10-20(18)22/h3-13,24H,14H2,1-2H3
InChIKeyJHDTUJFZUWUZDY-UHFFFAOYSA-N
MW376.48 g/mol
LogP3.94
Rot. Bonds3

About N-(10H-anthracen-9-ylideneamino)-2,5-dimethylbenzenesulfonamide

N-(10H-anthracen-9-ylideneamino)-2,5-dimethylbenzenesulfonamide (PubChem CID 2326133) has the molecular formula C22H20N2O2S and a molecular weight of 376.48 g/mol. Its IUPAC name is N-(10H-anthracen-9-ylideneamino)-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(10H-anthracen-9-ylideneamino)-2,5-dimethylbenzenesulfonamide
PubChem CID2326133
Molecular FormulaC22H20N2O2S
Molecular Weight376.48 g/mol
Exact Mass376.12
IUPAC NameN-(10H-anthracen-9-ylideneamino)-2,5-dimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)NN=C2c3ccccc3Cc3ccccc32)c1
InChIInChI=1S/C22H20N2O2S/c1-15-11-12-16(2)21(13-15)27(25,26)24-23-22-19-9-5-3-7-17(19)14-18-8-4-6-10-20(18)22/h3-13,24H,14H2,1-2H3
InChIKeyJHDTUJFZUWUZDY-UHFFFAOYSA-N
XLogP3.94
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(fluoren-9-ylideneamino)-2,5-dimethylbenzenesulfonamide
CID 4297375
2,5-dimethyl-N-[(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]benzenesulfonamide
CID 3955887
N'-(2-fluorophenyl)sulfonyl-2,5-dimethylbenzenesulfonohydrazide
CID 8523599
1,3-bis[(2,5-dimethylphenyl)sulfonyl]urea
CID 134090359
2,5-dimethyl-N-[(3-methylphenyl)methylideneamino]benzenesulfonamide
CID 2432038
N-(2,6-dimethylphenyl)-2,5-dimethylbenzenesulfonamide
CID 8504690
2,5-dimethyl-N-[(3-phenoxyphenyl)methylideneamino]benzenesulfonamide
CID 2362958
2,5-dimethyl-N-(pyridin-2-ylmethylideneamino)benzenesulfonamide
CID 4028994
2,5-dimethyl-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]benzenesulfonamide
CID 6908700
2,5-dimethyl-N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]benzenesulfonamide
CID 6892667
2,5-dimethyl-N-[[4-(N-phenylanilino)phenyl]methylideneamino]benzenesulfonamide
CID 5171617
2,5-dimethyl-N-[(Z)-1-(1H-pyrrol-2-yl)ethylideneamino]benzenesulfonamide
CID 136908398

Frequently Asked Questions

What is the IUPAC name of N-(10H-anthracen-9-ylideneamino)-2,5-dimethylbenzenesulfonamide?
The IUPAC name of N-(10H-anthracen-9-ylideneamino)-2,5-dimethylbenzenesulfonamide (CID 2326133) is N-(10H-anthracen-9-ylideneamino)-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(10H-anthracen-9-ylideneamino)-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-(10H-anthracen-9-ylideneamino)-2,5-dimethylbenzenesulfonamide is Cc1ccc(C)c(S(=O)(=O)NN=C2c3ccccc3Cc3ccccc32)c1.
What is the InChIKey of N-(10H-anthracen-9-ylideneamino)-2,5-dimethylbenzenesulfonamide?
The InChIKey is JHDTUJFZUWUZDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O2S/c1-15-11-12-16(2)21(13-15)27(25,26)24-23-22-19-9-5-3-7-17(19)14-18-8-4-6-10-20(18)22/h3-13,24H,14H2,1-2H3.
What are the key properties of N-(10H-anthracen-9-ylideneamino)-2,5-dimethylbenzenesulfonamide?
N-(10H-anthracen-9-ylideneamino)-2,5-dimethylbenzenesulfonamide has a molecular weight of 376.48 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(10H-anthracen-9-ylideneamino)-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 2326133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).