N-[(E)-[2-(2-methylpropoxy)phenyl]methylideneamino]benzenesulfonamide

C17H20N2O3S — CID 110509597

IUPACN-[(E)-[2-(2-methylpropoxy)phenyl]methylideneamino]benzenesulfonamide
SMILESCC(C)COc1ccccc1/C=N/NS(=O)(=O)c1ccccc1
InChIInChI=1S/C17H20N2O3S/c1-14(2)13-22-17-11-7-6-8-15(17)12-18-19-23(20,21)16-9-4-3-5-10-16/h3-12,14,19H,13H2,1-2H3/b18-12+
InChIKeyBIJMIGGFPQECNL-LDADJPATSA-N
MW332.43 g/mol
LogP3.03
Rot. Bonds7

About N-[(E)-[2-(2-methylpropoxy)phenyl]methylideneamino]benzenesulfonamide

N-[(E)-[2-(2-methylpropoxy)phenyl]methylideneamino]benzenesulfonamide (PubChem CID 110509597) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is N-[(E)-[2-(2-methylpropoxy)phenyl]methylideneamino]benzenesulfonamide.

Molecular Properties

Compound NameN-[(E)-[2-(2-methylpropoxy)phenyl]methylideneamino]benzenesulfonamide
PubChem CID110509597
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC NameN-[(E)-[2-(2-methylpropoxy)phenyl]methylideneamino]benzenesulfonamide
SMILESCC(C)COc1ccccc1/C=N/NS(=O)(=O)c1ccccc1
InChIInChI=1S/C17H20N2O3S/c1-14(2)13-22-17-11-7-6-8-15(17)12-18-19-23(20,21)16-9-4-3-5-10-16/h3-12,14,19H,13H2,1-2H3/b18-12+
InChIKeyBIJMIGGFPQECNL-LDADJPATSA-N
XLogP3.03
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 53.03
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

4-chloro-N-[(E)-[2-(2-methylpropoxy)phenyl]methylideneamino]benzenesulfonamide
CID 110516226
N-[(2-ethoxyphenyl)methylideneamino]benzenesulfonamide
CID 2643075
N-[(Z)-(2-propoxyphenyl)methylideneamino]benzenesulfonamide
CID 6116874
N-[[2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]benzenesulfonamide
CID 4992291
4-ethoxy-N-[(2-ethoxyphenyl)methylideneamino]benzenesulfonamide
CID 2643189
N-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]benzenesulfonamide
CID 2551534
N-[(E)-[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4-methylbenzenesulfonamide
CID 91972454
N-[(E)-(2-fluorophenyl)methylideneamino]benzenesulfonamide
CID 6894293
N-[(2-chlorophenyl)methylideneamino]benzenesulfonamide
CID 1474680
N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]benzenesulfonamide
CID 6908544
N-[(Z)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-4-(2-methylpropyl)benzenesulfonamide
CID 135647683
4-bromo-N-[(E)-[3-(2-methylpropoxy)phenyl]methylideneamino]benzenesulfonamide
CID 110516030

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[2-(2-methylpropoxy)phenyl]methylideneamino]benzenesulfonamide?
The IUPAC name of N-[(E)-[2-(2-methylpropoxy)phenyl]methylideneamino]benzenesulfonamide (CID 110509597) is N-[(E)-[2-(2-methylpropoxy)phenyl]methylideneamino]benzenesulfonamide.
What is the SMILES notation for N-[(E)-[2-(2-methylpropoxy)phenyl]methylideneamino]benzenesulfonamide?
The canonical SMILES for N-[(E)-[2-(2-methylpropoxy)phenyl]methylideneamino]benzenesulfonamide is CC(C)COc1ccccc1/C=N/NS(=O)(=O)c1ccccc1.
What is the InChIKey of N-[(E)-[2-(2-methylpropoxy)phenyl]methylideneamino]benzenesulfonamide?
The InChIKey is BIJMIGGFPQECNL-LDADJPATSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-14(2)13-22-17-11-7-6-8-15(17)12-18-19-23(20,21)16-9-4-3-5-10-16/h3-12,14,19H,13H2,1-2H3/b18-12+.
What are the key properties of N-[(E)-[2-(2-methylpropoxy)phenyl]methylideneamino]benzenesulfonamide?
N-[(E)-[2-(2-methylpropoxy)phenyl]methylideneamino]benzenesulfonamide has a molecular weight of 332.43 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[2-(2-methylpropoxy)phenyl]methylideneamino]benzenesulfonamide is sourced from PubChem (CID 110509597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).