2-[N-(benzenesulfonyl)anilino]-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]acetamide

C22H21N3O4S — CID 135470730

IUPAC2-[N-(benzenesulfonyl)anilino]-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]acetamide
SMILESC/C(=N/NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1)c1ccccc1O
InChIInChI=1S/C22H21N3O4S/c1-17(20-14-8-9-15-21(20)26)23-24-22(27)16-25(18-10-4-2-5-11-18)30(28,29)19-12-6-3-7-13-19/h2-15,26H,16H2,1H3,(H,24,27)/b23-17-
InChIKeyKDRIBRBDAUHPFM-QJOMJCCJSA-N
MW423.49 g/mol
LogP3.13
Rot. Bonds7

About 2-[N-(benzenesulfonyl)anilino]-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]acetamide

2-[N-(benzenesulfonyl)anilino]-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]acetamide (PubChem CID 135470730) has the molecular formula C22H21N3O4S and a molecular weight of 423.49 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)anilino]-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)anilino]-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]acetamide
PubChem CID135470730
Molecular FormulaC22H21N3O4S
Molecular Weight423.49 g/mol
Exact Mass423.13
IUPAC Name2-[N-(benzenesulfonyl)anilino]-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]acetamide
SMILESC/C(=N/NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1)c1ccccc1O
InChIInChI=1S/C22H21N3O4S/c1-17(20-14-8-9-15-21(20)26)23-24-22(27)16-25(18-10-4-2-5-11-18)30(28,29)19-12-6-3-7-13-19/h2-15,26H,16H2,1H3,(H,24,27)/b23-17-
InChIKeyKDRIBRBDAUHPFM-QJOMJCCJSA-N
XLogP3.13
TPSA99.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.49
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

4-[3-(2-Hydroxyphenyl)-6-oxopyridazin-1-yl]benzenesulfonamide
CID 155510851
N-[(1E)-2-(2-hydroxyphenyl)-1-azaprop-1-enyl]-2-[(methylsulfonyl)phenylamino]a cetamide
CID 135519931
4-ethoxy-N-{2-[2-(2-hydroxybenzylidene)hydrazino]-2-oxoethyl}-N-(4-methylphenyl)benzenesulfonamide
CID 135475964
N''-(2-hydroxybenzylidene)-2-(N-(4-chlorophenyl)phenylsulfonamido)acetohydrazide
CID 135537472
4-(5-(2-Hydroxyphenyl)-3-phenyl-4, 5-dihydro pyrazole) benzene sulfonamide (4a)
CID 121225781
N-({N'-[(E)-(2-Hydroxyphenyl)methylidene]hydrazinecarbonyl}methyl)-N-(4-methylphenyl)benzenesulfonamide
CID 135515655
N''-(1-(2-hydroxyphenyl)ethylidene)-2-(N-phenylphenylsulfonamido)acetohydrazide
CID 135613341
N-(2-{(2E)-2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl}-2-oxoethyl)-N-(2-methoxyphenyl)-4-methylbenzenesulfonamide (non-preferred name)
CID 135614387
2-(N-(3-chlorophenyl)phenylsulfonamido)-N''-(1-(2-hydroxyphenyl)ethylidene)acetohydrazide
CID 135644174
4-(5-(2-Hydroxyphenyl)-3-(4-fluorinated phenyl)-4, 5-dihydro pyrazole) benzene sulfonamide (4x)
CID 118796678
N-(4-Methoxyphenyl)-4-methyl-N-({N'-[(2E)-4-phenylbutan-2-ylidene]hydrazinecarbonyl}methyl)benzene-1-sulfonamide
CID 5757291
N-(4-Methoxyphenyl)-N-({N'-[(1E)-1-(4-methoxyphenyl)ethylidene]hydrazinecarbonyl}methyl)benzenesulfonamide
CID 5902148

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)anilino]-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)anilino]-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]acetamide (CID 135470730) is 2-[N-(benzenesulfonyl)anilino]-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)anilino]-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)anilino]-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]acetamide is C/C(=N/NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1)c1ccccc1O.
What is the InChIKey of 2-[N-(benzenesulfonyl)anilino]-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]acetamide?
The InChIKey is KDRIBRBDAUHPFM-QJOMJCCJSA-N. The full InChI is InChI=1S/C22H21N3O4S/c1-17(20-14-8-9-15-21(20)26)23-24-22(27)16-25(18-10-4-2-5-11-18)30(28,29)19-12-6-3-7-13-19/h2-15,26H,16H2,1H3,(H,24,27)/b23-17-.
What are the key properties of 2-[N-(benzenesulfonyl)anilino]-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]acetamide?
2-[N-(benzenesulfonyl)anilino]-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]acetamide has a molecular weight of 423.49 g/mol, XLogP of 3.13, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)anilino]-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]acetamide is sourced from PubChem (CID 135470730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).