4-[[(4-methoxyphenyl)methylideneamino]methyl]benzenesulfonamide

C15H16N2O3S — CID 10852049

IUPAC4-[[(4-methoxyphenyl)methylideneamino]methyl]benzenesulfonamide
SMILESCOc1ccc(/C=N/Cc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C15H16N2O3S/c1-20-14-6-2-12(3-7-14)10-17-11-13-4-8-15(9-5-13)21(16,18)19/h2-10H,11H2,1H3,(H2,16,18,19)/b17-10+
InChIKeyXPTMBUMNPLYYLO-LICLKQGHSA-N
MW304.37 g/mol
LogP1.96
Rot. Bonds5

About 4-[[(4-methoxyphenyl)methylideneamino]methyl]benzenesulfonamide

4-[[(4-methoxyphenyl)methylideneamino]methyl]benzenesulfonamide (PubChem CID 10852049) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is 4-[[(4-methoxyphenyl)methylideneamino]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[[(4-methoxyphenyl)methylideneamino]methyl]benzenesulfonamide
PubChem CID10852049
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC Name4-[[(4-methoxyphenyl)methylideneamino]methyl]benzenesulfonamide
SMILESCOc1ccc(/C=N/Cc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C15H16N2O3S/c1-20-14-6-2-12(3-7-14)10-17-11-13-4-8-15(9-5-13)21(16,18)19/h2-10H,11H2,1H3,(H2,16,18,19)/b17-10+
InChIKeyXPTMBUMNPLYYLO-LICLKQGHSA-N
XLogP1.96
TPSA81.75 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 ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-(4-Methoxybenzylidene)-4-methylbenzenesulfonamide
CID 5706325
N'-[(E)-(2-methoxyphenyl)methylidene]benzenesulfonohydrazide
CID 5335248
N-(4-Methoxybenzylidene)-4-sulfamoylaniline
CID 625902
N'-(4-Methoxybenzylidene)-4-methylbenzenesulfonohydrazide
CID 5331359
N-(4-methoxybenzyl)benzenesulfonamide
CID 854251
4-(6-Methoxy-3,4-Dihydroisoquinolin-1-Yl)benzenesulfonamide
CID 56928044
4-[2-[(4-Methoxyphenyl)methylamino]ethyl]benzenesulfonamide
CID 4718971
4-methoxy-N-(4-methoxybenzyl)benzenesulfonamide
CID 741350
3-[(2E)-2-(4-methoxybenzylidene)-1-methylhydrazinyl]-1,2-benzothiazole 1,1-dioxide
CID 9623143
4-Methoxybenzaldehyde (1,1-dioxido-1,2-benzisothiazol-3-yl)hydrazone
CID 5332515
N'-(4-Methoxybenzylidene)benzenesulfonohydrazide
CID 6908543
N-benzyl-4-methoxybenzenesulfonamide
CID 741351

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-methoxyphenyl)methylideneamino]methyl]benzenesulfonamide?
The IUPAC name of 4-[[(4-methoxyphenyl)methylideneamino]methyl]benzenesulfonamide (CID 10852049) is 4-[[(4-methoxyphenyl)methylideneamino]methyl]benzenesulfonamide.
What is the SMILES notation for 4-[[(4-methoxyphenyl)methylideneamino]methyl]benzenesulfonamide?
The canonical SMILES for 4-[[(4-methoxyphenyl)methylideneamino]methyl]benzenesulfonamide is COc1ccc(/C=N/Cc2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of 4-[[(4-methoxyphenyl)methylideneamino]methyl]benzenesulfonamide?
The InChIKey is XPTMBUMNPLYYLO-LICLKQGHSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-20-14-6-2-12(3-7-14)10-17-11-13-4-8-15(9-5-13)21(16,18)19/h2-10H,11H2,1H3,(H2,16,18,19)/b17-10+.
What are the key properties of 4-[[(4-methoxyphenyl)methylideneamino]methyl]benzenesulfonamide?
4-[[(4-methoxyphenyl)methylideneamino]methyl]benzenesulfonamide has a molecular weight of 304.37 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-methoxyphenyl)methylideneamino]methyl]benzenesulfonamide is sourced from PubChem (CID 10852049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).