2-[benzenesulfonyl(pyridin-3-yl)amino]-N-[(Z)-(2-hydroxyphenyl)methylideneamino]acetamide

C20H18N4O4S — CID 137077806

IUPAC2-[benzenesulfonyl(pyridin-3-yl)amino]-N-[(Z)-(2-hydroxyphenyl)methylideneamino]acetamide
SMILESO=C(CN(c1cccnc1)S(=O)(=O)c1ccccc1)N/N=C\c1ccccc1O
InChIInChI=1S/C20H18N4O4S/c25-19-11-5-4-7-16(19)13-22-23-20(26)15-24(17-8-6-12-21-14-17)29(27,28)18-9-2-1-3-10-18/h1-14,25H,15H2,(H,23,26)/b22-13-
InChIKeyQSLABXXGKQIRRJ-XKZIYDEJSA-N
MW410.46 g/mol
LogP2.13
Rot. Bonds7

About 2-[benzenesulfonyl(pyridin-3-yl)amino]-N-[(Z)-(2-hydroxyphenyl)methylideneamino]acetamide

2-[benzenesulfonyl(pyridin-3-yl)amino]-N-[(Z)-(2-hydroxyphenyl)methylideneamino]acetamide (PubChem CID 137077806) has the molecular formula C20H18N4O4S and a molecular weight of 410.46 g/mol. Its IUPAC name is 2-[benzenesulfonyl(pyridin-3-yl)amino]-N-[(Z)-(2-hydroxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-[benzenesulfonyl(pyridin-3-yl)amino]-N-[(Z)-(2-hydroxyphenyl)methylideneamino]acetamide
PubChem CID137077806
Molecular FormulaC20H18N4O4S
Molecular Weight410.46 g/mol
Exact Mass410.10
IUPAC Name2-[benzenesulfonyl(pyridin-3-yl)amino]-N-[(Z)-(2-hydroxyphenyl)methylideneamino]acetamide
SMILESO=C(CN(c1cccnc1)S(=O)(=O)c1ccccc1)N/N=C\c1ccccc1O
InChIInChI=1S/C20H18N4O4S/c25-19-11-5-4-7-16(19)13-22-23-20(26)15-24(17-8-6-12-21-14-17)29(27,28)18-9-2-1-3-10-18/h1-14,25H,15H2,(H,23,26)/b22-13-
InChIKeyQSLABXXGKQIRRJ-XKZIYDEJSA-N
XLogP2.13
TPSA111.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.46
LogP ≤ 52.13
H-Bond Donors ≤ 52
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-[N-(benzenesulfonyl)-4-methylanilino]-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide
CID 135515655
2-[benzenesulfonyl(pyridin-3-yl)amino]-N-[(Z)-[2,5-dimethyl-1-(3-methylphenyl)pyrrol-3-yl]methylideneamino]acetamide
CID 94837634
2-[benzenesulfonyl(pyridin-3-yl)amino]-N-[(Z)-(3-bromo-4,5-dimethoxyphenyl)methylideneamino]acetamide
CID 126189469
2-[N-(benzenesulfonyl)-3-bromoanilino]-N-[(Z)-(2-bromophenyl)methylideneamino]acetamide
CID 98049528
2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-[(Z)-(2-hydroxyphenyl)methylideneamino]acetamide
CID 135916009
2-[N-(benzenesulfonyl)-3-methylanilino]-N-[(Z)-(2-bromophenyl)methylideneamino]acetamide
CID 94838048
2-[N-(benzenesulfonyl)anilino]-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
CID 5335834
2-[N-(benzenesulfonyl)anilino]-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]acetamide
CID 94838040
2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 126190899
2-[benzenesulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide
CID 135644179
2-[(Z)-[[2-[N-(benzenesulfonyl)-4-propan-2-ylanilino]acetyl]hydrazinylidene]methyl]benzoic acid
CID 92649580
2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 137044665

Frequently Asked Questions

What is the IUPAC name of 2-[benzenesulfonyl(pyridin-3-yl)amino]-N-[(Z)-(2-hydroxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-[benzenesulfonyl(pyridin-3-yl)amino]-N-[(Z)-(2-hydroxyphenyl)methylideneamino]acetamide (CID 137077806) is 2-[benzenesulfonyl(pyridin-3-yl)amino]-N-[(Z)-(2-hydroxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-[benzenesulfonyl(pyridin-3-yl)amino]-N-[(Z)-(2-hydroxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-[benzenesulfonyl(pyridin-3-yl)amino]-N-[(Z)-(2-hydroxyphenyl)methylideneamino]acetamide is O=C(CN(c1cccnc1)S(=O)(=O)c1ccccc1)N/N=C\c1ccccc1O.
What is the InChIKey of 2-[benzenesulfonyl(pyridin-3-yl)amino]-N-[(Z)-(2-hydroxyphenyl)methylideneamino]acetamide?
The InChIKey is QSLABXXGKQIRRJ-XKZIYDEJSA-N. The full InChI is InChI=1S/C20H18N4O4S/c25-19-11-5-4-7-16(19)13-22-23-20(26)15-24(17-8-6-12-21-14-17)29(27,28)18-9-2-1-3-10-18/h1-14,25H,15H2,(H,23,26)/b22-13-.
What are the key properties of 2-[benzenesulfonyl(pyridin-3-yl)amino]-N-[(Z)-(2-hydroxyphenyl)methylideneamino]acetamide?
2-[benzenesulfonyl(pyridin-3-yl)amino]-N-[(Z)-(2-hydroxyphenyl)methylideneamino]acetamide has a molecular weight of 410.46 g/mol, XLogP of 2.13, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzenesulfonyl(pyridin-3-yl)amino]-N-[(Z)-(2-hydroxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 137077806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).