2-[(4-acetamidophenyl)sulfonyl-[(4-nitrophenyl)methyl]amino]-N-hydroxyacetamide

C17H18N4O7S — CID 11796481

IUPAC2-[(4-acetamidophenyl)sulfonyl-[(4-nitrophenyl)methyl]amino]-N-hydroxyacetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)NO)Cc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C17H18N4O7S/c1-12(22)18-14-4-8-16(9-5-14)29(27,28)20(11-17(23)19-24)10-13-2-6-15(7-3-13)21(25)26/h2-9,24H,10-11H2,1H3,(H,18,22)(H,19,23)
InChIKeySESYXDSEOCRODR-UHFFFAOYSA-N
MW422.42 g/mol
LogP1.25
Rot. Bonds8

About 2-[(4-acetamidophenyl)sulfonyl-[(4-nitrophenyl)methyl]amino]-N-hydroxyacetamide

2-[(4-acetamidophenyl)sulfonyl-[(4-nitrophenyl)methyl]amino]-N-hydroxyacetamide (PubChem CID 11796481) has the molecular formula C17H18N4O7S and a molecular weight of 422.42 g/mol. Its IUPAC name is 2-[(4-acetamidophenyl)sulfonyl-[(4-nitrophenyl)methyl]amino]-N-hydroxyacetamide.

Molecular Properties

Compound Name2-[(4-acetamidophenyl)sulfonyl-[(4-nitrophenyl)methyl]amino]-N-hydroxyacetamide
PubChem CID11796481
Molecular FormulaC17H18N4O7S
Molecular Weight422.42 g/mol
Exact Mass422.09
IUPAC Name2-[(4-acetamidophenyl)sulfonyl-[(4-nitrophenyl)methyl]amino]-N-hydroxyacetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)NO)Cc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C17H18N4O7S/c1-12(22)18-14-4-8-16(9-5-14)29(27,28)20(11-17(23)19-24)10-13-2-6-15(7-3-13)21(25)26/h2-9,24H,10-11H2,1H3,(H,18,22)(H,19,23)
InChIKeySESYXDSEOCRODR-UHFFFAOYSA-N
XLogP1.25
TPSA158.95 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.42
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', '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

N-Hydroxy-2-[(4-nitro-benzyl)-pentafluorobenzenesulfonyl-amino]-acetamide
CID 10456675
N-Hydroxy-2-[(4-nitro-benzyl)-pentafluorobenzenesulfonyl-amino]-propionamide
CID 23645535
N-[(5S)-5-[(4-aminophenyl)sulfonyl-isobutyl-amino]-6-hydroxy-hexyl]-2-[N-[(4-nitrophenyl)methyl]anilino]acetamide
CID 513424
N-(4-{[(3-phenylpropyl)amino]sulfonyl}phenyl)acetamide
CID 2164921
N-(4-(((1-Methylethyl)(phenylmethyl)amino)sulfonyl)phenyl)acetamide
CID 669165
N-[(5S)-5-[(4-aminophenyl)sulfonyl-isobutyl-amino]-6-hydroxy-hexyl]-2-[N-[(3-nitrophenyl)methyl]anilino]acetamide
CID 513426
(E)-2-cyano-3-(4-nitrophenyl)-N-(4-sulfamoylphenyl)prop-2-enamide
CID 5765787
N-Hydroxy-2-[(4-nitro-benzyl)-(3-trifluoromethyl-benzenesulfonyl)-amino]-acetamide
CID 10365560
N-Hydroxy-2-[(4-nitro-benzyl)-(3-(N-benzenesulfonyl)ureido-benzenesulfonyl)-amino]-acetamide
CID 10507152
2-[[4-[(4-chlorophenyl)sulfonylcarbamoylamino]phenyl]sulfonyl-[(4-nitrophenyl)methyl]amino]-N-hydroxyacetamide
CID 10507755
N-hydroxy-2-[[4-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl]sulfonyl-[(4-nitrophenyl)methyl]amino]acetamide
CID 10579086
2-[[4-[(4-fluorophenyl)sulfonylcarbamoylamino]phenyl]sulfonyl-[(4-nitrophenyl)methyl]amino]-N-hydroxyacetamide
CID 10650906

Frequently Asked Questions

What is the IUPAC name of 2-[(4-acetamidophenyl)sulfonyl-[(4-nitrophenyl)methyl]amino]-N-hydroxyacetamide?
The IUPAC name of 2-[(4-acetamidophenyl)sulfonyl-[(4-nitrophenyl)methyl]amino]-N-hydroxyacetamide (CID 11796481) is 2-[(4-acetamidophenyl)sulfonyl-[(4-nitrophenyl)methyl]amino]-N-hydroxyacetamide.
What is the SMILES notation for 2-[(4-acetamidophenyl)sulfonyl-[(4-nitrophenyl)methyl]amino]-N-hydroxyacetamide?
The canonical SMILES for 2-[(4-acetamidophenyl)sulfonyl-[(4-nitrophenyl)methyl]amino]-N-hydroxyacetamide is CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)NO)Cc2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of 2-[(4-acetamidophenyl)sulfonyl-[(4-nitrophenyl)methyl]amino]-N-hydroxyacetamide?
The InChIKey is SESYXDSEOCRODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O7S/c1-12(22)18-14-4-8-16(9-5-14)29(27,28)20(11-17(23)19-24)10-13-2-6-15(7-3-13)21(25)26/h2-9,24H,10-11H2,1H3,(H,18,22)(H,19,23).
What are the key properties of 2-[(4-acetamidophenyl)sulfonyl-[(4-nitrophenyl)methyl]amino]-N-hydroxyacetamide?
2-[(4-acetamidophenyl)sulfonyl-[(4-nitrophenyl)methyl]amino]-N-hydroxyacetamide has a molecular weight of 422.42 g/mol, XLogP of 1.25, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-acetamidophenyl)sulfonyl-[(4-nitrophenyl)methyl]amino]-N-hydroxyacetamide is sourced from PubChem (CID 11796481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).