2-[benzenesulfonyl(benzyl)amino]-N-[(2-nitrophenyl)methylideneamino]acetamide

C22H20N4O5S — CID 2247598

IUPAC2-[benzenesulfonyl(benzyl)amino]-N-[(2-nitrophenyl)methylideneamino]acetamide
SMILESO=C(CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)NN=Cc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C22H20N4O5S/c27-22(24-23-15-19-11-7-8-14-21(19)26(28)29)17-25(16-18-9-3-1-4-10-18)32(30,31)20-12-5-2-6-13-20/h1-15H,16-17H2,(H,24,27)
InChIKeyFTXDWPWWANNCPL-UHFFFAOYSA-N
MW452.49 g/mol
LogP2.94
Rot. Bonds9

About 2-[benzenesulfonyl(benzyl)amino]-N-[(2-nitrophenyl)methylideneamino]acetamide

2-[benzenesulfonyl(benzyl)amino]-N-[(2-nitrophenyl)methylideneamino]acetamide (PubChem CID 2247598) has the molecular formula C22H20N4O5S and a molecular weight of 452.49 g/mol. Its IUPAC name is 2-[benzenesulfonyl(benzyl)amino]-N-[(2-nitrophenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-[benzenesulfonyl(benzyl)amino]-N-[(2-nitrophenyl)methylideneamino]acetamide
PubChem CID2247598
Molecular FormulaC22H20N4O5S
Molecular Weight452.49 g/mol
Exact Mass452.12
IUPAC Name2-[benzenesulfonyl(benzyl)amino]-N-[(2-nitrophenyl)methylideneamino]acetamide
SMILESO=C(CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)NN=Cc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C22H20N4O5S/c27-22(24-23-15-19-11-7-8-14-21(19)26(28)29)17-25(16-18-9-3-1-4-10-18)32(30,31)20-12-5-2-6-13-20/h1-15H,16-17H2,(H,24,27)
InChIKeyFTXDWPWWANNCPL-UHFFFAOYSA-N
XLogP2.94
TPSA121.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.49
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[methyl-(4-methylphenyl)sulfonylamino]-N-[(E)-(2-nitrophenyl)methylideneamino]acetamide
CID 6877590
N-[(E)-(2-nitrophenyl)methylideneamino]-2-phenylacetamide
CID 6894812
N-[(2-nitrophenyl)methylideneamino]-2-phenylacetamide
CID 796751
2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-[(Z)-(2,3-dichlorophenyl)methylideneamino]acetamide
CID 94847357
2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[(E)-(2-methoxyphenyl)methylideneamino]acetamide
CID 6884239
2-[N-(benzenesulfonyl)-3-bromoanilino]-N-[(Z)-(2-nitrophenyl)methylideneamino]acetamide
CID 124525683
2-[N-(benzenesulfonyl)-3,4-dichloroanilino]-N-[(E)-(2-nitrophenyl)methylideneamino]acetamide
CID 43879026
2-[benzyl-(4-methylphenyl)sulfonylamino]-N-[(4-methoxy-3-nitrophenyl)methylideneamino]acetamide
CID 3130101
2-[(4-acetamidophenyl)sulfonyl-benzylamino]-N-[(2,3-dichlorophenyl)methylideneamino]acetamide
CID 3682983
2-[benzyl(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)amino]-N-[(2-chlorophenyl)methylideneamino]acetamide
CID 4219426
2-[benzyl-(3,4-dimethoxyphenyl)sulfonylamino]-N-[(Z)-(4-methoxy-3-nitrophenyl)methylideneamino]acetamide
CID 98093714
2-[benzenesulfonyl-[(4-methylphenyl)methyl]amino]-N-[(2-phenylmethoxyphenyl)methylideneamino]acetamide
CID 3733371

Frequently Asked Questions

What is the IUPAC name of 2-[benzenesulfonyl(benzyl)amino]-N-[(2-nitrophenyl)methylideneamino]acetamide?
The IUPAC name of 2-[benzenesulfonyl(benzyl)amino]-N-[(2-nitrophenyl)methylideneamino]acetamide (CID 2247598) is 2-[benzenesulfonyl(benzyl)amino]-N-[(2-nitrophenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-[benzenesulfonyl(benzyl)amino]-N-[(2-nitrophenyl)methylideneamino]acetamide?
The canonical SMILES for 2-[benzenesulfonyl(benzyl)amino]-N-[(2-nitrophenyl)methylideneamino]acetamide is O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)NN=Cc1ccccc1[N+](=O)[O-].
What is the InChIKey of 2-[benzenesulfonyl(benzyl)amino]-N-[(2-nitrophenyl)methylideneamino]acetamide?
The InChIKey is FTXDWPWWANNCPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O5S/c27-22(24-23-15-19-11-7-8-14-21(19)26(28)29)17-25(16-18-9-3-1-4-10-18)32(30,31)20-12-5-2-6-13-20/h1-15H,16-17H2,(H,24,27).
What are the key properties of 2-[benzenesulfonyl(benzyl)amino]-N-[(2-nitrophenyl)methylideneamino]acetamide?
2-[benzenesulfonyl(benzyl)amino]-N-[(2-nitrophenyl)methylideneamino]acetamide has a molecular weight of 452.49 g/mol, XLogP of 2.94, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzenesulfonyl(benzyl)amino]-N-[(2-nitrophenyl)methylideneamino]acetamide is sourced from PubChem (CID 2247598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).