N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-(methanesulfonamido)benzamide

C16H17N3O5S — CID 135960004

IUPACN-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-(methanesulfonamido)benzamide
SMILESCOc1ccc(O)c(/C=N/NC(=O)c2ccccc2NS(C)(=O)=O)c1
InChIInChI=1S/C16H17N3O5S/c1-24-12-7-8-15(20)11(9-12)10-17-18-16(21)13-5-3-4-6-14(13)19-25(2,22)23/h3-10,19-20H,1-2H3,(H,18,21)/b17-10+
InChIKeySOBDCTKQLSTOGY-LICLKQGHSA-N
MW363.40 g/mol
LogP1.54
Rot. Bonds6

About N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-(methanesulfonamido)benzamide

N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-(methanesulfonamido)benzamide (PubChem CID 135960004) has the molecular formula C16H17N3O5S and a molecular weight of 363.40 g/mol. Its IUPAC name is N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-(methanesulfonamido)benzamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-(methanesulfonamido)benzamide
PubChem CID135960004
Molecular FormulaC16H17N3O5S
Molecular Weight363.40 g/mol
Exact Mass363.09
IUPAC NameN-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-(methanesulfonamido)benzamide
SMILESCOc1ccc(O)c(/C=N/NC(=O)c2ccccc2NS(C)(=O)=O)c1
InChIInChI=1S/C16H17N3O5S/c1-24-12-7-8-15(20)11(9-12)10-17-18-16(21)13-5-3-4-6-14(13)19-25(2,22)23/h3-10,19-20H,1-2H3,(H,18,21)/b17-10+
InChIKeySOBDCTKQLSTOGY-LICLKQGHSA-N
XLogP1.54
TPSA117.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.40
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-(methanesulfonamido)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-1H-indole-7-carboxamide
CID 135959939
N-[(E)-(2-bromo-5-methoxyphenyl)methylideneamino]-2-hydroxybenzamide
CID 44507388
1-hydroxy-N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]naphthalene-2-carboxamide
CID 135959919
2-hydroxy-N-[(Z)-(2-hydroxyphenyl)methylideneamino]-4-methoxybenzamide
CID 137156038
2-hydroxy-N-[(Z)-(2-hydroxy-4-methoxyphenyl)methylideneamino]benzamide
CID 135883025
5-fluoro-2-hydroxy-N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]benzamide
CID 135959958
4-(benzenesulfonamido)-N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]benzamide
CID 135606019
N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[(4-methoxybenzoyl)amino]benzamide
CID 135479229
N-[2-(cyclohexylcarbamoyl)phenyl]-N'-[(2-hydroxy-5-methoxyphenyl)methylideneamino]oxamide
CID 3520611
N-[(Z)-(2-hydroxy-5-methoxyphenyl)methylideneamino]pyridine-2-carboxamide
CID 136863964
N-[(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-methylquinoline-4-carboxamide
CID 3603749
N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-methylquinoline-4-carboxamide
CID 135717252

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-(methanesulfonamido)benzamide?
The IUPAC name of N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-(methanesulfonamido)benzamide (CID 135960004) is N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-(methanesulfonamido)benzamide.
What is the SMILES notation for N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-(methanesulfonamido)benzamide?
The canonical SMILES for N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-(methanesulfonamido)benzamide is COc1ccc(O)c(/C=N/NC(=O)c2ccccc2NS(C)(=O)=O)c1.
What is the InChIKey of N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-(methanesulfonamido)benzamide?
The InChIKey is SOBDCTKQLSTOGY-LICLKQGHSA-N. The full InChI is InChI=1S/C16H17N3O5S/c1-24-12-7-8-15(20)11(9-12)10-17-18-16(21)13-5-3-4-6-14(13)19-25(2,22)23/h3-10,19-20H,1-2H3,(H,18,21)/b17-10+.
What are the key properties of N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-(methanesulfonamido)benzamide?
N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-(methanesulfonamido)benzamide has a molecular weight of 363.40 g/mol, XLogP of 1.54, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-(methanesulfonamido)benzamide is sourced from PubChem (CID 135960004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).