4-[(2-hydroxy-5-methoxyphenyl)methylideneamino]benzenesulfonamide

C14H14N2O4S — CID 738631

IUPAC4-[(2-hydroxy-5-methoxyphenyl)methylideneamino]benzenesulfonamide
SMILESCOc1ccc(O)c(/C=N/c2ccc(S(N)(=O)=O)cc2)c1
InChIInChI=1S/C14H14N2O4S/c1-20-12-4-7-14(17)10(8-12)9-16-11-2-5-13(6-3-11)21(15,18)19/h2-9,17H,1H3,(H2,15,18,19)/b16-9+
InChIKeyCSDKEBNKFQSWDP-CXUHLZMHSA-N
MW306.34 g/mol
LogP1.80
Rot. Bonds4

About 4-[(2-hydroxy-5-methoxyphenyl)methylideneamino]benzenesulfonamide

4-[(2-hydroxy-5-methoxyphenyl)methylideneamino]benzenesulfonamide (PubChem CID 738631) has the molecular formula C14H14N2O4S and a molecular weight of 306.34 g/mol. Its IUPAC name is 4-[(2-hydroxy-5-methoxyphenyl)methylideneamino]benzenesulfonamide.

Molecular Properties

Compound Name4-[(2-hydroxy-5-methoxyphenyl)methylideneamino]benzenesulfonamide
PubChem CID738631
Molecular FormulaC14H14N2O4S
Molecular Weight306.34 g/mol
Exact Mass306.07
IUPAC Name4-[(2-hydroxy-5-methoxyphenyl)methylideneamino]benzenesulfonamide
SMILESCOc1ccc(O)c(/C=N/c2ccc(S(N)(=O)=O)cc2)c1
InChIInChI=1S/C14H14N2O4S/c1-20-12-4-7-14(17)10(8-12)9-16-11-2-5-13(6-3-11)21(15,18)19/h2-9,17H,1H3,(H2,15,18,19)/b16-9+
InChIKeyCSDKEBNKFQSWDP-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

N-(4-Methoxybenzylidene)-4-sulfamoylaniline
CID 625902
4-((2-Hydroxybenzylidene)amino)benzenesulfonamide
CID 308397
Benzenesulfonamide, 4-[[(4-hydroxyphenyl)methylene]amino]-
CID 404202
4-[(3-Methoxy-benzylidene)-amino]-benzenesulfonamide
CID 404378
4-(3-Hydroxy-benzylideneamino)-benzenesulfonamide
CID 405560
4-[(2-Hydroxy-5-methoxyphenyl)methylamino]benzenesulfonamide
CID 29045530
4-((2-Hydroxy-5-methoxybenzylideneamino)methyl)benzenesulfonamide
CID 135595335
4-[2-[(2-Hydroxy-5-methoxyphenyl)methylideneamino]ethyl]benzenesulfonamide
CID 135595468
4-[(2-Hydroxy-3-methylphenyl)methylideneamino]benzenesulfonamide
CID 136053622
4-[[(2-Hydroxy-5-methoxyphenyl)methylideneamino]methyl]benzenesulfonamide;hydrochloride
CID 136499038
(E)-4-(4-Hydroxy-3-methoxybenzylideneamino)benzenesulfonamide
CID 405561
4-[(1E)-2-(3-ethoxy-4-hydroxyphenyl)-1-azavinyl]benzenesulfonamide
CID 724576

Frequently Asked Questions

What is the IUPAC name of 4-[(2-hydroxy-5-methoxyphenyl)methylideneamino]benzenesulfonamide?
The IUPAC name of 4-[(2-hydroxy-5-methoxyphenyl)methylideneamino]benzenesulfonamide (CID 738631) is 4-[(2-hydroxy-5-methoxyphenyl)methylideneamino]benzenesulfonamide.
What is the SMILES notation for 4-[(2-hydroxy-5-methoxyphenyl)methylideneamino]benzenesulfonamide?
The canonical SMILES for 4-[(2-hydroxy-5-methoxyphenyl)methylideneamino]benzenesulfonamide is COc1ccc(O)c(/C=N/c2ccc(S(N)(=O)=O)cc2)c1.
What is the InChIKey of 4-[(2-hydroxy-5-methoxyphenyl)methylideneamino]benzenesulfonamide?
The InChIKey is CSDKEBNKFQSWDP-CXUHLZMHSA-N. The full InChI is InChI=1S/C14H14N2O4S/c1-20-12-4-7-14(17)10(8-12)9-16-11-2-5-13(6-3-11)21(15,18)19/h2-9,17H,1H3,(H2,15,18,19)/b16-9+.
What are the key properties of 4-[(2-hydroxy-5-methoxyphenyl)methylideneamino]benzenesulfonamide?
4-[(2-hydroxy-5-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-5-methoxyphenyl)methylideneamino]benzenesulfonamide is sourced from PubChem (CID 738631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).