2,5-dimethyl-N-[(3-phenoxyphenyl)methylideneamino]benzenesulfonamide

C21H20N2O3S — CID 2362958

IUPAC2,5-dimethyl-N-[(3-phenoxyphenyl)methylideneamino]benzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)NN=Cc2cccc(Oc3ccccc3)c2)c1
InChIInChI=1S/C21H20N2O3S/c1-16-11-12-17(2)21(13-16)27(24,25)23-22-15-18-7-6-10-20(14-18)26-19-8-4-3-5-9-19/h3-15,23H,1-2H3
InChIKeyRHLUKEBEHUAFER-UHFFFAOYSA-N
MW380.47 g/mol
LogP4.41
Rot. Bonds6

About 2,5-dimethyl-N-[(3-phenoxyphenyl)methylideneamino]benzenesulfonamide

2,5-dimethyl-N-[(3-phenoxyphenyl)methylideneamino]benzenesulfonamide (PubChem CID 2362958) has the molecular formula C21H20N2O3S and a molecular weight of 380.47 g/mol. Its IUPAC name is 2,5-dimethyl-N-[(3-phenoxyphenyl)methylideneamino]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[(3-phenoxyphenyl)methylideneamino]benzenesulfonamide
PubChem CID2362958
Molecular FormulaC21H20N2O3S
Molecular Weight380.47 g/mol
Exact Mass380.12
IUPAC Name2,5-dimethyl-N-[(3-phenoxyphenyl)methylideneamino]benzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)NN=Cc2cccc(Oc3ccccc3)c2)c1
InChIInChI=1S/C21H20N2O3S/c1-16-11-12-17(2)21(13-16)27(24,25)23-22-15-18-7-6-10-20(14-18)26-19-8-4-3-5-9-19/h3-15,23H,1-2H3
InChIKeyRHLUKEBEHUAFER-UHFFFAOYSA-N
XLogP4.41
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[(E)-(3-methoxyphenyl)methylideneamino]-2,5-dimethylbenzenesulfonamide
CID 6892732
2,5-dimethyl-N-[(3-methylphenyl)methylideneamino]benzenesulfonamide
CID 2432038
N-[(E)-(3-methoxyphenyl)methylideneamino]-2,4-dimethylbenzenesulfonamide
CID 110517919
N-[(E)-(3-ethoxyphenyl)methylideneamino]-2,4-dimethylbenzenesulfonamide
CID 110517904
2,5-dimethyl-N-[[4-(N-phenylanilino)phenyl]methylideneamino]benzenesulfonamide
CID 5171617
5-tert-butyl-2-methyl-N-[(E)-(3-methylphenyl)methylideneamino]benzenesulfonamide
CID 110515892
N-[(E)-(4-chlorophenyl)methylideneamino]-2,5-dimethylbenzenesulfonamide
CID 6906878
N-[(E)-(3-butoxyphenyl)methylideneamino]-2,4-dimethylbenzenesulfonamide
CID 110517879
2,5-dimethyl-N-(pyridin-2-ylmethylideneamino)benzenesulfonamide
CID 4028994
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2,5-dimethylbenzenesulfonamide
CID 6892737
N-[[4-(dimethylamino)phenyl]methylideneamino]-2,5-dimethylbenzenesulfonamide
CID 2094275
2,5-dimethyl-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]benzenesulfonamide
CID 6908700

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[(3-phenoxyphenyl)methylideneamino]benzenesulfonamide?
The IUPAC name of 2,5-dimethyl-N-[(3-phenoxyphenyl)methylideneamino]benzenesulfonamide (CID 2362958) is 2,5-dimethyl-N-[(3-phenoxyphenyl)methylideneamino]benzenesulfonamide.
What is the SMILES notation for 2,5-dimethyl-N-[(3-phenoxyphenyl)methylideneamino]benzenesulfonamide?
The canonical SMILES for 2,5-dimethyl-N-[(3-phenoxyphenyl)methylideneamino]benzenesulfonamide is Cc1ccc(C)c(S(=O)(=O)NN=Cc2cccc(Oc3ccccc3)c2)c1.
What is the InChIKey of 2,5-dimethyl-N-[(3-phenoxyphenyl)methylideneamino]benzenesulfonamide?
The InChIKey is RHLUKEBEHUAFER-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3S/c1-16-11-12-17(2)21(13-16)27(24,25)23-22-15-18-7-6-10-20(14-18)26-19-8-4-3-5-9-19/h3-15,23H,1-2H3.
What are the key properties of 2,5-dimethyl-N-[(3-phenoxyphenyl)methylideneamino]benzenesulfonamide?
2,5-dimethyl-N-[(3-phenoxyphenyl)methylideneamino]benzenesulfonamide has a molecular weight of 380.47 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[(3-phenoxyphenyl)methylideneamino]benzenesulfonamide is sourced from PubChem (CID 2362958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).