N-[(E)-(3-butoxyphenyl)methylideneamino]-2,4-dimethylbenzenesulfonamide

C19H24N2O3S — CID 110517879

IUPACN-[(E)-(3-butoxyphenyl)methylideneamino]-2,4-dimethylbenzenesulfonamide
SMILESCCCCOc1cccc(/C=N/NS(=O)(=O)c2ccc(C)cc2C)c1
InChIInChI=1S/C19H24N2O3S/c1-4-5-11-24-18-8-6-7-17(13-18)14-20-21-25(22,23)19-10-9-15(2)12-16(19)3/h6-10,12-14,21H,4-5,11H2,1-3H3/b20-14+
InChIKeyXUMKCESIKHZQRX-XSFVSMFZSA-N
MW360.48 g/mol
LogP3.79
Rot. Bonds8

About N-[(E)-(3-butoxyphenyl)methylideneamino]-2,4-dimethylbenzenesulfonamide

N-[(E)-(3-butoxyphenyl)methylideneamino]-2,4-dimethylbenzenesulfonamide (PubChem CID 110517879) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is N-[(E)-(3-butoxyphenyl)methylideneamino]-2,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(E)-(3-butoxyphenyl)methylideneamino]-2,4-dimethylbenzenesulfonamide
PubChem CID110517879
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC NameN-[(E)-(3-butoxyphenyl)methylideneamino]-2,4-dimethylbenzenesulfonamide
SMILESCCCCOc1cccc(/C=N/NS(=O)(=O)c2ccc(C)cc2C)c1
InChIInChI=1S/C19H24N2O3S/c1-4-5-11-24-18-8-6-7-17(13-18)14-20-21-25(22,23)19-10-9-15(2)12-16(19)3/h6-10,12-14,21H,4-5,11H2,1-3H3/b20-14+
InChIKeyXUMKCESIKHZQRX-XSFVSMFZSA-N
XLogP3.79
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-ethoxyphenyl)methylideneamino]-2,4-dimethylbenzenesulfonamide
CID 110517904
N-[(E)-(3-methoxyphenyl)methylideneamino]-2,4-dimethylbenzenesulfonamide
CID 110517919
N-[(E)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2,4-dimethylbenzenesulfonamide
CID 110517782
N-[(E)-(4-ethoxyphenyl)methylideneamino]-2,4-dimethylbenzenesulfonamide
CID 110517753
N-[(E)-(3-methoxyphenyl)methylideneamino]-2,5-dimethylbenzenesulfonamide
CID 6892732
2,5-dimethyl-N-[(3-phenoxyphenyl)methylideneamino]benzenesulfonamide
CID 2362958
2,5-dimethyl-N-[(3-methylphenyl)methylideneamino]benzenesulfonamide
CID 2432038
2,4-dimethyl-N-[(E)-pyridin-3-ylmethylideneamino]benzenesulfonamide
CID 110517932
2,4-dimethyl-N-[(E)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methylideneamino]benzenesulfonamide
CID 110517867
[(3-butoxyphenyl)methylideneamino]urea
CID 168531918
N'-[(3-butoxyphenyl)methylideneamino]-N-(2,5-dimethylphenyl)butanediamide
CID 3365224
2-methoxy-5-methyl-N-[(E)-[3-(2-methylpropoxy)phenyl]methylideneamino]benzenesulfonamide
CID 110518057

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-butoxyphenyl)methylideneamino]-2,4-dimethylbenzenesulfonamide?
The IUPAC name of N-[(E)-(3-butoxyphenyl)methylideneamino]-2,4-dimethylbenzenesulfonamide (CID 110517879) is N-[(E)-(3-butoxyphenyl)methylideneamino]-2,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[(E)-(3-butoxyphenyl)methylideneamino]-2,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-[(E)-(3-butoxyphenyl)methylideneamino]-2,4-dimethylbenzenesulfonamide is CCCCOc1cccc(/C=N/NS(=O)(=O)c2ccc(C)cc2C)c1.
What is the InChIKey of N-[(E)-(3-butoxyphenyl)methylideneamino]-2,4-dimethylbenzenesulfonamide?
The InChIKey is XUMKCESIKHZQRX-XSFVSMFZSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-4-5-11-24-18-8-6-7-17(13-18)14-20-21-25(22,23)19-10-9-15(2)12-16(19)3/h6-10,12-14,21H,4-5,11H2,1-3H3/b20-14+.
What are the key properties of N-[(E)-(3-butoxyphenyl)methylideneamino]-2,4-dimethylbenzenesulfonamide?
N-[(E)-(3-butoxyphenyl)methylideneamino]-2,4-dimethylbenzenesulfonamide has a molecular weight of 360.48 g/mol, XLogP of 3.79, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-butoxyphenyl)methylideneamino]-2,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 110517879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).