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

C19H24N2O3S — CID 110517121

IUPACN-[(E)-(4-butoxyphenyl)methylideneamino]-3,4-dimethylbenzenesulfonamide
SMILESCCCCOc1ccc(/C=N/NS(=O)(=O)c2ccc(C)c(C)c2)cc1
InChIInChI=1S/C19H24N2O3S/c1-4-5-12-24-18-9-7-17(8-10-18)14-20-21-25(22,23)19-11-6-15(2)16(3)13-19/h6-11,13-14,21H,4-5,12H2,1-3H3/b20-14+
InChIKeyPTKDIAYPKRGCET-XSFVSMFZSA-N
MW360.48 g/mol
LogP3.79
Rot. Bonds8

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

N-[(E)-(4-butoxyphenyl)methylideneamino]-3,4-dimethylbenzenesulfonamide (PubChem CID 110517121) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is N-[(E)-(4-butoxyphenyl)methylideneamino]-3,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(E)-(4-butoxyphenyl)methylideneamino]-3,4-dimethylbenzenesulfonamide
PubChem CID110517121
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC NameN-[(E)-(4-butoxyphenyl)methylideneamino]-3,4-dimethylbenzenesulfonamide
SMILESCCCCOc1ccc(/C=N/NS(=O)(=O)c2ccc(C)c(C)c2)cc1
InChIInChI=1S/C19H24N2O3S/c1-4-5-12-24-18-9-7-17(8-10-18)14-20-21-25(22,23)19-11-6-15(2)16(3)13-19/h6-11,13-14,21H,4-5,12H2,1-3H3/b20-14+
InChIKeyPTKDIAYPKRGCET-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

3,4-dimethoxy-N-[(E)-(4-pentoxyphenyl)methylideneamino]benzenesulfonamide
CID 110517554
N-[(E)-(4-ethoxy-3,5-dimethoxyphenyl)methylideneamino]-3,4-dimethylbenzenesulfonamide
CID 110517091
N-[(Z)-(3,4-dihydroxyphenyl)methylideneamino]-3,4-dimethylbenzenesulfonamide
CID 135647638
4-ethoxy-N-[(4-fluorophenyl)methylideneamino]benzenesulfonamide
CID 2643152
N-[(4-chlorophenyl)methylideneamino]-4-ethoxybenzenesulfonamide
CID 2643147
N-[(E)-(4-ethoxyphenyl)methylideneamino]-2,4-dimethylbenzenesulfonamide
CID 110517753
N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-3,4-dimethylbenzenesulfonamide
CID 110517257
4-ethoxy-N-[(E)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methylideneamino]benzenesulfonamide
CID 110516725
N-[(E)-(3-chloro-5-ethoxy-4-methoxyphenyl)methylideneamino]-3,4-dimethylbenzenesulfonamide
CID 110517154
N-[(E)-(4-methoxy-3-propan-2-yloxyphenyl)methylideneamino]-3,4-dimethylbenzenesulfonamide
CID 110517208
N-[(E)-(3-butoxyphenyl)methylideneamino]-2,4-dimethylbenzenesulfonamide
CID 110517879
3,4-dimethoxy-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]benzenesulfonamide
CID 110517474

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-butoxyphenyl)methylideneamino]-3,4-dimethylbenzenesulfonamide?
The IUPAC name of N-[(E)-(4-butoxyphenyl)methylideneamino]-3,4-dimethylbenzenesulfonamide (CID 110517121) is N-[(E)-(4-butoxyphenyl)methylideneamino]-3,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[(E)-(4-butoxyphenyl)methylideneamino]-3,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-[(E)-(4-butoxyphenyl)methylideneamino]-3,4-dimethylbenzenesulfonamide is CCCCOc1ccc(/C=N/NS(=O)(=O)c2ccc(C)c(C)c2)cc1.
What is the InChIKey of N-[(E)-(4-butoxyphenyl)methylideneamino]-3,4-dimethylbenzenesulfonamide?
The InChIKey is PTKDIAYPKRGCET-XSFVSMFZSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-4-5-12-24-18-9-7-17(8-10-18)14-20-21-25(22,23)19-11-6-15(2)16(3)13-19/h6-11,13-14,21H,4-5,12H2,1-3H3/b20-14+.
What are the key properties of N-[(E)-(4-butoxyphenyl)methylideneamino]-3,4-dimethylbenzenesulfonamide?
N-[(E)-(4-butoxyphenyl)methylideneamino]-3,4-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)-(4-butoxyphenyl)methylideneamino]-3,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 110517121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).