4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]benzenesulfonamide

C14H14N2O4S — CID 3272383

IUPAC4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]benzenesulfonamide
SMILESCOc1cccc(/C=N/c2ccc(S(N)(=O)=O)cc2)c1O
InChIInChI=1S/C14H14N2O4S/c1-20-13-4-2-3-10(14(13)17)9-16-11-5-7-12(8-6-11)21(15,18)19/h2-9,17H,1H3,(H2,15,18,19)/b16-9+
InChIKeySESIDVXPAWEAJJ-CXUHLZMHSA-N
MW306.34 g/mol
LogP1.80
Rot. Bonds4

About 4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]benzenesulfonamide

4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]benzenesulfonamide (PubChem CID 3272383) has the molecular formula C14H14N2O4S and a molecular weight of 306.34 g/mol. Its IUPAC name is 4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]benzenesulfonamide.

Molecular Properties

Compound Name4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]benzenesulfonamide
PubChem CID3272383
Molecular FormulaC14H14N2O4S
Molecular Weight306.34 g/mol
Exact Mass306.07
IUPAC Name4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]benzenesulfonamide
SMILESCOc1cccc(/C=N/c2ccc(S(N)(=O)=O)cc2)c1O
InChIInChI=1S/C14H14N2O4S/c1-20-13-4-2-3-10(14(13)17)9-16-11-5-7-12(8-6-11)21(15,18)19/h2-9,17H,1H3,(H2,15,18,19)/b16-9+
InChIKeySESIDVXPAWEAJJ-CXUHLZMHSA-N
XLogP1.80
TPSA101.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[[3-[3-[(2-hydroxy-3-methoxyphenyl)methylideneamino]phenyl]sulfonylphenyl]iminomethyl]-6-methoxyphenol
CID 135424005
4-[(4-methoxynaphthalen-1-yl)methylideneamino]benzenesulfonamide
CID 958545
4-[(2,3,4-trimethoxyphenyl)methylideneamino]benzenesulfonamide
CID 1275154
4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 4545791
manganese(2+);2-methanehydrazonoyl-6-methoxyphenol;dichloride
CID 162116939
2-[(3,5-difluorophenyl)iminomethyl]-6-methoxyphenol
CID 135657433
2-methoxy-6-[[4-(trifluoromethoxy)phenyl]iminomethyl]phenol
CID 771801
2-[[4-[4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]phenoxy]phenyl]iminomethyl]-6-methylphenol
CID 137256616
2-methoxy-6-[[4-(4-methoxyanilino)phenyl]iminomethyl]phenol
CID 135774276
2-[(E)-[(E)-(2-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]methyl]-6-methoxyphenol
CID 135473163
2-[(4-bromo-3-chlorophenyl)iminomethyl]-6-methoxyphenol
CID 681274
sodium 5-hydroxy-4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-7-sulfonaphthalene-2-sulfonate
CID 137207477

Frequently Asked Questions

What is the IUPAC name of 4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]benzenesulfonamide?
The IUPAC name of 4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]benzenesulfonamide (CID 3272383) is 4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]benzenesulfonamide.
What is the SMILES notation for 4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]benzenesulfonamide?
The canonical SMILES for 4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]benzenesulfonamide is COc1cccc(/C=N/c2ccc(S(N)(=O)=O)cc2)c1O.
What is the InChIKey of 4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]benzenesulfonamide?
The InChIKey is SESIDVXPAWEAJJ-CXUHLZMHSA-N. The full InChI is InChI=1S/C14H14N2O4S/c1-20-13-4-2-3-10(14(13)17)9-16-11-5-7-12(8-6-11)21(15,18)19/h2-9,17H,1H3,(H2,15,18,19)/b16-9+.
What are the key properties of 4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]benzenesulfonamide?
4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]benzenesulfonamide has a molecular weight of 306.34 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]benzenesulfonamide is sourced from PubChem (CID 3272383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).