N-[(Z)-(2-propoxyphenyl)methylideneamino]benzenesulfonamide

C16H18N2O3S — CID 6116874

IUPACN-[(Z)-(2-propoxyphenyl)methylideneamino]benzenesulfonamide
SMILESCCCOc1ccccc1/C=N\NS(=O)(=O)c1ccccc1
InChIInChI=1S/C16H18N2O3S/c1-2-12-21-16-11-7-6-8-14(16)13-17-18-22(19,20)15-9-4-3-5-10-15/h3-11,13,18H,2,12H2,1H3/b17-13-
InChIKeyGZVDRZCANWLNOA-LGMDPLHJSA-N
MW318.40 g/mol
LogP2.79
Rot. Bonds7

About N-[(Z)-(2-propoxyphenyl)methylideneamino]benzenesulfonamide

N-[(Z)-(2-propoxyphenyl)methylideneamino]benzenesulfonamide (PubChem CID 6116874) has the molecular formula C16H18N2O3S and a molecular weight of 318.40 g/mol. Its IUPAC name is N-[(Z)-(2-propoxyphenyl)methylideneamino]benzenesulfonamide.

Molecular Properties

Compound NameN-[(Z)-(2-propoxyphenyl)methylideneamino]benzenesulfonamide
PubChem CID6116874
Molecular FormulaC16H18N2O3S
Molecular Weight318.40 g/mol
Exact Mass318.10
IUPAC NameN-[(Z)-(2-propoxyphenyl)methylideneamino]benzenesulfonamide
SMILESCCCOc1ccccc1/C=N\NS(=O)(=O)c1ccccc1
InChIInChI=1S/C16H18N2O3S/c1-2-12-21-16-11-7-6-8-14(16)13-17-18-22(19,20)15-9-4-3-5-10-15/h3-11,13,18H,2,12H2,1H3/b17-13-
InChIKeyGZVDRZCANWLNOA-LGMDPLHJSA-N
XLogP2.79
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 52.79
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'}

Analyze N-[(Z)-(2-propoxyphenyl)methylideneamino]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-ethoxyphenyl)methylideneamino]benzenesulfonamide
CID 2643075
N-[(E)-[2-(2-methylpropoxy)phenyl]methylideneamino]benzenesulfonamide
CID 110509597
4-ethoxy-N-[(2-ethoxyphenyl)methylideneamino]benzenesulfonamide
CID 2643189
N-[(E)-(2-propoxyphenyl)methylideneamino]thiophene-2-sulfonamide
CID 110518275
N-[[2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]benzenesulfonamide
CID 4992291
N-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]benzenesulfonamide
CID 2551534
N-[(E)-(4-methoxy-3-propoxyphenyl)methylideneamino]benzenesulfonamide
CID 110509660
2-oxo-N-[(E)-(2-propoxyphenyl)methylideneamino]-3H-1,3-benzoxazole-6-sulfonamide
CID 110518431
4-chloro-N-[(E)-[2-(2-methylpropoxy)phenyl]methylideneamino]benzenesulfonamide
CID 110516226
1,3-bis[(E)-(2-propoxyphenyl)methylideneamino]urea
CID 5332460
N-[(E)-[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4-methylbenzenesulfonamide
CID 91972454
N-[(2-chlorophenyl)methylideneamino]benzenesulfonamide
CID 1474680

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2-propoxyphenyl)methylideneamino]benzenesulfonamide?
The IUPAC name of N-[(Z)-(2-propoxyphenyl)methylideneamino]benzenesulfonamide (CID 6116874) is N-[(Z)-(2-propoxyphenyl)methylideneamino]benzenesulfonamide.
What is the SMILES notation for N-[(Z)-(2-propoxyphenyl)methylideneamino]benzenesulfonamide?
The canonical SMILES for N-[(Z)-(2-propoxyphenyl)methylideneamino]benzenesulfonamide is CCCOc1ccccc1/C=N\NS(=O)(=O)c1ccccc1.
What is the InChIKey of N-[(Z)-(2-propoxyphenyl)methylideneamino]benzenesulfonamide?
The InChIKey is GZVDRZCANWLNOA-LGMDPLHJSA-N. The full InChI is InChI=1S/C16H18N2O3S/c1-2-12-21-16-11-7-6-8-14(16)13-17-18-22(19,20)15-9-4-3-5-10-15/h3-11,13,18H,2,12H2,1H3/b17-13-.
What are the key properties of N-[(Z)-(2-propoxyphenyl)methylideneamino]benzenesulfonamide?
N-[(Z)-(2-propoxyphenyl)methylideneamino]benzenesulfonamide has a molecular weight of 318.40 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2-propoxyphenyl)methylideneamino]benzenesulfonamide is sourced from PubChem (CID 6116874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).