2-(benzenesulfonamido)-N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]acetamide

C16H17N3O5S — CID 135710674

IUPAC2-(benzenesulfonamido)-N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]acetamide
SMILESCOc1ccc(O)c(/C=N/NC(=O)CNS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C16H17N3O5S/c1-24-13-7-8-15(20)12(9-13)10-17-19-16(21)11-18-25(22,23)14-5-3-2-4-6-14/h2-10,18,20H,11H2,1H3,(H,19,21)/b17-10+
InChIKeyVLSCCELKNNBIHL-LICLKQGHSA-N
MW363.40 g/mol
LogP0.83
Rot. Bonds7

About 2-(benzenesulfonamido)-N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]acetamide

2-(benzenesulfonamido)-N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]acetamide (PubChem CID 135710674) has the molecular formula C16H17N3O5S and a molecular weight of 363.40 g/mol. Its IUPAC name is 2-(benzenesulfonamido)-N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(benzenesulfonamido)-N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]acetamide
PubChem CID135710674
Molecular FormulaC16H17N3O5S
Molecular Weight363.40 g/mol
Exact Mass363.09
IUPAC Name2-(benzenesulfonamido)-N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]acetamide
SMILESCOc1ccc(O)c(/C=N/NC(=O)CNS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C16H17N3O5S/c1-24-13-7-8-15(20)12(9-13)10-17-19-16(21)11-18-25(22,23)14-5-3-2-4-6-14/h2-10,18,20H,11H2,1H3,(H,19,21)/b17-10+
InChIKeyVLSCCELKNNBIHL-LICLKQGHSA-N
XLogP0.83
TPSA117.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.40
LogP ≤ 50.83
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'}

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Related Compounds

2-anilino-N-[(Z)-(2-hydroxy-5-methoxyphenyl)methylideneamino]acetamide
CID 136662896
2-(benzenesulfonamido)-N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]acetamide
CID 92534259
4-(benzenesulfonamido)-N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]benzamide
CID 135606019
2-(4-bromoanilino)-N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]acetamide
CID 135678709
2-(benzenesulfonamido)-N-[(Z)-(2-bromo-5-prop-2-ynoxyphenyl)methylideneamino]acetamide
CID 6083442
N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-(3-methylanilino)acetamide
CID 135752411
2-(benzenesulfonamido)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide
CID 136678607
N-[(2-hydroxy-5-methoxyphenyl)methylideneamino]hexadecanamide
CID 136806672
2-hydroxy-N-[(Z)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-2,2-diphenylacetamide
CID 137084970
N-[(Z)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-(2-phenylphenoxy)acetamide
CID 136903161
4-chloro-N-[2-[2-[(2-hydroxy-5-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 3946515
2-(3,5-dimethylphenoxy)-N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]acetamide
CID 135614054

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonamido)-N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(benzenesulfonamido)-N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]acetamide (CID 135710674) is 2-(benzenesulfonamido)-N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(benzenesulfonamido)-N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(benzenesulfonamido)-N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]acetamide is COc1ccc(O)c(/C=N/NC(=O)CNS(=O)(=O)c2ccccc2)c1.
What is the InChIKey of 2-(benzenesulfonamido)-N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]acetamide?
The InChIKey is VLSCCELKNNBIHL-LICLKQGHSA-N. The full InChI is InChI=1S/C16H17N3O5S/c1-24-13-7-8-15(20)12(9-13)10-17-19-16(21)11-18-25(22,23)14-5-3-2-4-6-14/h2-10,18,20H,11H2,1H3,(H,19,21)/b17-10+.
What are the key properties of 2-(benzenesulfonamido)-N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]acetamide?
2-(benzenesulfonamido)-N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]acetamide has a molecular weight of 363.40 g/mol, XLogP of 0.83, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonamido)-N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 135710674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).