2-[benzenesulfonyl(methyl)amino]-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide

C16H17N3O4S — CID 135965808

IUPAC2-[benzenesulfonyl(methyl)amino]-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide
SMILESCN(CC(=O)N/N=C/c1ccc(O)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C16H17N3O4S/c1-19(24(22,23)15-5-3-2-4-6-15)12-16(21)18-17-11-13-7-9-14(20)10-8-13/h2-11,20H,12H2,1H3,(H,18,21)/b17-11+
InChIKeyZCTNABYQGKLZRP-GZTJUZNOSA-N
MW347.40 g/mol
LogP1.16
Rot. Bonds6

About 2-[benzenesulfonyl(methyl)amino]-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide

2-[benzenesulfonyl(methyl)amino]-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide (PubChem CID 135965808) has the molecular formula C16H17N3O4S and a molecular weight of 347.40 g/mol. Its IUPAC name is 2-[benzenesulfonyl(methyl)amino]-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-[benzenesulfonyl(methyl)amino]-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide
PubChem CID135965808
Molecular FormulaC16H17N3O4S
Molecular Weight347.40 g/mol
Exact Mass347.09
IUPAC Name2-[benzenesulfonyl(methyl)amino]-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide
SMILESCN(CC(=O)N/N=C/c1ccc(O)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C16H17N3O4S/c1-19(24(22,23)15-5-3-2-4-6-15)12-16(21)18-17-11-13-7-9-14(20)10-8-13/h2-11,20H,12H2,1H3,(H,18,21)/b17-11+
InChIKeyZCTNABYQGKLZRP-GZTJUZNOSA-N
XLogP1.16
TPSA99.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', '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-[(4-bromophenyl)sulfonyl-methylamino]-N-[(Z)-(4-hydroxyphenyl)methylideneamino]acetamide
CID 136918340
N-(benzylideneamino)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 3423617
2-[methyl-(4-methylphenyl)sulfonylamino]-N-[(4-propan-2-ylphenyl)methylideneamino]acetamide
CID 84932337
2-[(4-acetamidophenyl)sulfonyl-benzylamino]-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide
CID 136742007
2-[N-(benzenesulfonyl)-2-methylanilino]-N-(benzylideneamino)acetamide
CID 2716777
2-[(4-bromophenyl)sulfonyl-methylamino]-N-[(Z)-(4-methoxyphenyl)methylideneamino]acetamide
CID 92511275
2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide
CID 135598985
2-[benzenesulfonyl(methyl)amino]-N-[(2,3-dimethoxyphenyl)methylideneamino]acetamide
CID 25162948
2-[(4-bromophenyl)sulfonyl-methylamino]-N-[(Z)-(4-nitrophenyl)methylideneamino]acetamide
CID 92511293
2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide
CID 135679438
2-[N-(benzenesulfonyl)-4-bromoanilino]-N-[[4-(dimethylamino)phenyl]methylideneamino]acetamide
CID 4200669
methyl 4-[(Z)-[[2-[(4-acetamidophenyl)sulfonyl-methylamino]acetyl]hydrazinylidene]methyl]benzoate
CID 92513082

Frequently Asked Questions

What is the IUPAC name of 2-[benzenesulfonyl(methyl)amino]-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-[benzenesulfonyl(methyl)amino]-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide (CID 135965808) is 2-[benzenesulfonyl(methyl)amino]-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-[benzenesulfonyl(methyl)amino]-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-[benzenesulfonyl(methyl)amino]-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide is CN(CC(=O)N/N=C/c1ccc(O)cc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[benzenesulfonyl(methyl)amino]-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide?
The InChIKey is ZCTNABYQGKLZRP-GZTJUZNOSA-N. The full InChI is InChI=1S/C16H17N3O4S/c1-19(24(22,23)15-5-3-2-4-6-15)12-16(21)18-17-11-13-7-9-14(20)10-8-13/h2-11,20H,12H2,1H3,(H,18,21)/b17-11+.
What are the key properties of 2-[benzenesulfonyl(methyl)amino]-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide?
2-[benzenesulfonyl(methyl)amino]-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide has a molecular weight of 347.40 g/mol, XLogP of 1.16, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzenesulfonyl(methyl)amino]-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 135965808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).