N-[1-(4-methoxyphenyl)ethylideneamino]benzenesulfonamide

C15H16N2O3S — CID 4663316

IUPACN-[1-(4-methoxyphenyl)ethylideneamino]benzenesulfonamide
SMILESCOc1ccc(C(C)=NNS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C15H16N2O3S/c1-12(13-8-10-14(20-2)11-9-13)16-17-21(18,19)15-6-4-3-5-7-15/h3-11,17H,1-2H3
InChIKeySHNSSHDXENTKFD-UHFFFAOYSA-N
MW304.37 g/mol
LogP2.40
Rot. Bonds5

About N-[1-(4-methoxyphenyl)ethylideneamino]benzenesulfonamide

N-[1-(4-methoxyphenyl)ethylideneamino]benzenesulfonamide (PubChem CID 4663316) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)ethylideneamino]benzenesulfonamide.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)ethylideneamino]benzenesulfonamide
PubChem CID4663316
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC NameN-[1-(4-methoxyphenyl)ethylideneamino]benzenesulfonamide
SMILESCOc1ccc(C(C)=NNS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C15H16N2O3S/c1-12(13-8-10-14(20-2)11-9-13)16-17-21(18,19)15-6-4-3-5-7-15/h3-11,17H,1-2H3
InChIKeySHNSSHDXENTKFD-UHFFFAOYSA-N
XLogP2.40
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 52.40
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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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)ethylideneamino]benzenesulfonamide?
The IUPAC name of N-[1-(4-methoxyphenyl)ethylideneamino]benzenesulfonamide (CID 4663316) is N-[1-(4-methoxyphenyl)ethylideneamino]benzenesulfonamide.
What is the SMILES notation for N-[1-(4-methoxyphenyl)ethylideneamino]benzenesulfonamide?
The canonical SMILES for N-[1-(4-methoxyphenyl)ethylideneamino]benzenesulfonamide is COc1ccc(C(C)=NNS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)ethylideneamino]benzenesulfonamide?
The InChIKey is SHNSSHDXENTKFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-12(13-8-10-14(20-2)11-9-13)16-17-21(18,19)15-6-4-3-5-7-15/h3-11,17H,1-2H3.
What are the key properties of N-[1-(4-methoxyphenyl)ethylideneamino]benzenesulfonamide?
N-[1-(4-methoxyphenyl)ethylideneamino]benzenesulfonamide has a molecular weight of 304.37 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)ethylideneamino]benzenesulfonamide is sourced from PubChem (CID 4663316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).