N-[(E)-(4-methoxy-3-propoxyphenyl)methylideneamino]benzenesulfonamide

C17H20N2O4S — CID 110509660

IUPACN-[(E)-(4-methoxy-3-propoxyphenyl)methylideneamino]benzenesulfonamide
SMILESCCCOc1cc(/C=N/NS(=O)(=O)c2ccccc2)ccc1OC
InChIInChI=1S/C17H20N2O4S/c1-3-11-23-17-12-14(9-10-16(17)22-2)13-18-19-24(20,21)15-7-5-4-6-8-15/h4-10,12-13,19H,3,11H2,1-2H3/b18-13+
InChIKeyAJWKBSNSXRBBSC-QGOAFFKASA-N
MW348.42 g/mol
LogP2.80
Rot. Bonds8

About N-[(E)-(4-methoxy-3-propoxyphenyl)methylideneamino]benzenesulfonamide

N-[(E)-(4-methoxy-3-propoxyphenyl)methylideneamino]benzenesulfonamide (PubChem CID 110509660) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is N-[(E)-(4-methoxy-3-propoxyphenyl)methylideneamino]benzenesulfonamide.

Molecular Properties

Compound NameN-[(E)-(4-methoxy-3-propoxyphenyl)methylideneamino]benzenesulfonamide
PubChem CID110509660
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC NameN-[(E)-(4-methoxy-3-propoxyphenyl)methylideneamino]benzenesulfonamide
SMILESCCCOc1cc(/C=N/NS(=O)(=O)c2ccccc2)ccc1OC
InChIInChI=1S/C17H20N2O4S/c1-3-11-23-17-12-14(9-10-16(17)22-2)13-18-19-24(20,21)15-7-5-4-6-8-15/h4-10,12-13,19H,3,11H2,1-2H3/b18-13+
InChIKeyAJWKBSNSXRBBSC-QGOAFFKASA-N
XLogP2.80
TPSA76.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[(Z)-[3-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]benzenesulfonamide
CID 6294716
N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]-4-propan-2-yloxybenzenesulfonamide
CID 110517629
N-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-4-methylbenzenesulfonamide
CID 5415311
N-[(Z)-(2-propoxyphenyl)methylideneamino]benzenesulfonamide
CID 6116874
N-[(E)-(4-methoxy-3-propoxyphenyl)methylideneamino]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 110518416
[4-[(Z)-(benzenesulfonylhydrazinylidene)methyl]-2-ethoxyphenyl] 4-propoxybenzoate
CID 6114211
N-[(Z)-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]benzenesulfonamide
CID 124605419
4-chloro-N-[(E)-(4-hexoxy-3-methoxyphenyl)methylideneamino]benzenesulfonamide
CID 110516295
N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]benzenesulfonamide
CID 135738480
N-[(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]naphthalene-2-sulfonamide
CID 3813802
[5-[(E)-(benzenesulfonylhydrazinylidene)methyl]-2-methoxyphenyl] 4-methylbenzoate
CID 6872737
[5-[(Z)-(benzenesulfonylhydrazinylidene)methyl]-2-methoxyphenyl] 4-methoxybenzoate
CID 5430747

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-methoxy-3-propoxyphenyl)methylideneamino]benzenesulfonamide?
The IUPAC name of N-[(E)-(4-methoxy-3-propoxyphenyl)methylideneamino]benzenesulfonamide (CID 110509660) is N-[(E)-(4-methoxy-3-propoxyphenyl)methylideneamino]benzenesulfonamide.
What is the SMILES notation for N-[(E)-(4-methoxy-3-propoxyphenyl)methylideneamino]benzenesulfonamide?
The canonical SMILES for N-[(E)-(4-methoxy-3-propoxyphenyl)methylideneamino]benzenesulfonamide is CCCOc1cc(/C=N/NS(=O)(=O)c2ccccc2)ccc1OC.
What is the InChIKey of N-[(E)-(4-methoxy-3-propoxyphenyl)methylideneamino]benzenesulfonamide?
The InChIKey is AJWKBSNSXRBBSC-QGOAFFKASA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-3-11-23-17-12-14(9-10-16(17)22-2)13-18-19-24(20,21)15-7-5-4-6-8-15/h4-10,12-13,19H,3,11H2,1-2H3/b18-13+.
What are the key properties of N-[(E)-(4-methoxy-3-propoxyphenyl)methylideneamino]benzenesulfonamide?
N-[(E)-(4-methoxy-3-propoxyphenyl)methylideneamino]benzenesulfonamide has a molecular weight of 348.42 g/mol, XLogP of 2.80, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-methoxy-3-propoxyphenyl)methylideneamino]benzenesulfonamide is sourced from PubChem (CID 110509660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).