4-[(2,3,4-trimethoxyphenyl)methylideneamino]benzenesulfonamide

C16H18N2O5S — CID 1275154

IUPAC4-[(2,3,4-trimethoxyphenyl)methylideneamino]benzenesulfonamide
SMILESCOc1ccc(/C=N/c2ccc(S(N)(=O)=O)cc2)c(OC)c1OC
InChIInChI=1S/C16H18N2O5S/c1-21-14-9-4-11(15(22-2)16(14)23-3)10-18-12-5-7-13(8-6-12)24(17,19)20/h4-10H,1-3H3,(H2,17,19,20)/b18-10+
InChIKeyOTLIOOQJKLRFSP-VCHYOVAHSA-N
MW350.40 g/mol
LogP2.11
Rot. Bonds6

About 4-[(2,3,4-trimethoxyphenyl)methylideneamino]benzenesulfonamide

4-[(2,3,4-trimethoxyphenyl)methylideneamino]benzenesulfonamide (PubChem CID 1275154) has the molecular formula C16H18N2O5S and a molecular weight of 350.40 g/mol. Its IUPAC name is 4-[(2,3,4-trimethoxyphenyl)methylideneamino]benzenesulfonamide.

Molecular Properties

Compound Name4-[(2,3,4-trimethoxyphenyl)methylideneamino]benzenesulfonamide
PubChem CID1275154
Molecular FormulaC16H18N2O5S
Molecular Weight350.40 g/mol
Exact Mass350.09
IUPAC Name4-[(2,3,4-trimethoxyphenyl)methylideneamino]benzenesulfonamide
SMILESCOc1ccc(/C=N/c2ccc(S(N)(=O)=O)cc2)c(OC)c1OC
InChIInChI=1S/C16H18N2O5S/c1-21-14-9-4-11(15(22-2)16(14)23-3)10-18-12-5-7-13(8-6-12)24(17,19)20/h4-10H,1-3H3,(H2,17,19,20)/b18-10+
InChIKeyOTLIOOQJKLRFSP-VCHYOVAHSA-N
XLogP2.11
TPSA100.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[(4-methoxynaphthalen-1-yl)methylideneamino]benzenesulfonamide
CID 958545
1-(2,3,4-trimethoxyphenyl)-N-[4-[(2,3,4-trimethoxyphenyl)methylideneamino]phenyl]methanimine
CID 71343645
4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]benzenesulfonamide
CID 3272383
4-bromo-N-[(2,3,4-trimethoxyphenyl)methylideneamino]benzenesulfonamide
CID 2590678
4-[(2-ethoxynaphthalen-1-yl)methylideneamino]benzenesulfonamide
CID 3940132
4-[(2,3-dimethoxyphenyl)methylideneamino]-N-pyridin-3-ylbenzenesulfonamide
CID 28589297
4-ethoxy-N-[(2,3,4-trimethoxyphenyl)methylideneamino]benzenesulfonamide
CID 2643188
4-methoxyquinoline-6-sulfonamide
CID 170007480
[2-methoxy-4-[(4-sulfamoylphenyl)iminomethyl]phenyl] 2-prop-2-enylsulfanylacetate
CID 5198092
4-[(5-methylfuran-2-yl)methylideneamino]benzenesulfonamide
CID 794729
CID 118692692
CID 118692692
2-hydroxy-3,4-dimethoxybenzenesulfonamide
CID 174958358

Frequently Asked Questions

What is the IUPAC name of 4-[(2,3,4-trimethoxyphenyl)methylideneamino]benzenesulfonamide?
The IUPAC name of 4-[(2,3,4-trimethoxyphenyl)methylideneamino]benzenesulfonamide (CID 1275154) is 4-[(2,3,4-trimethoxyphenyl)methylideneamino]benzenesulfonamide.
What is the SMILES notation for 4-[(2,3,4-trimethoxyphenyl)methylideneamino]benzenesulfonamide?
The canonical SMILES for 4-[(2,3,4-trimethoxyphenyl)methylideneamino]benzenesulfonamide is COc1ccc(/C=N/c2ccc(S(N)(=O)=O)cc2)c(OC)c1OC.
What is the InChIKey of 4-[(2,3,4-trimethoxyphenyl)methylideneamino]benzenesulfonamide?
The InChIKey is OTLIOOQJKLRFSP-VCHYOVAHSA-N. The full InChI is InChI=1S/C16H18N2O5S/c1-21-14-9-4-11(15(22-2)16(14)23-3)10-18-12-5-7-13(8-6-12)24(17,19)20/h4-10H,1-3H3,(H2,17,19,20)/b18-10+.
What are the key properties of 4-[(2,3,4-trimethoxyphenyl)methylideneamino]benzenesulfonamide?
4-[(2,3,4-trimethoxyphenyl)methylideneamino]benzenesulfonamide has a molecular weight of 350.40 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,3,4-trimethoxyphenyl)methylideneamino]benzenesulfonamide is sourced from PubChem (CID 1275154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).