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

C16H16N4O7S — CID 11795715

IUPAC2-[benzenesulfonylcarbamoyl-[(4-nitrophenyl)methyl]amino]-N-hydroxyacetamide
SMILESO=C(CN(Cc1ccc([N+](=O)[O-])cc1)C(=O)NS(=O)(=O)c1ccccc1)NO
InChIInChI=1S/C16H16N4O7S/c21-15(17-23)11-19(10-12-6-8-13(9-7-12)20(24)25)16(22)18-28(26,27)14-4-2-1-3-5-14/h1-9,23H,10-11H2,(H,17,21)(H,18,22)
InChIKeyACSSJLXQNWFMSO-UHFFFAOYSA-N
MW408.39 g/mol
LogP1.00
Rot. Bonds7

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

2-[benzenesulfonylcarbamoyl-[(4-nitrophenyl)methyl]amino]-N-hydroxyacetamide (PubChem CID 11795715) has the molecular formula C16H16N4O7S and a molecular weight of 408.39 g/mol. Its IUPAC name is 2-[benzenesulfonylcarbamoyl-[(4-nitrophenyl)methyl]amino]-N-hydroxyacetamide.

Molecular Properties

Compound Name2-[benzenesulfonylcarbamoyl-[(4-nitrophenyl)methyl]amino]-N-hydroxyacetamide
PubChem CID11795715
Molecular FormulaC16H16N4O7S
Molecular Weight408.39 g/mol
Exact Mass408.07
IUPAC Name2-[benzenesulfonylcarbamoyl-[(4-nitrophenyl)methyl]amino]-N-hydroxyacetamide
SMILESO=C(CN(Cc1ccc([N+](=O)[O-])cc1)C(=O)NS(=O)(=O)c1ccccc1)NO
InChIInChI=1S/C16H16N4O7S/c21-15(17-23)11-19(10-12-6-8-13(9-7-12)20(24)25)16(22)18-28(26,27)14-4-2-1-3-5-14/h1-9,23H,10-11H2,(H,17,21)(H,18,22)
InChIKeyACSSJLXQNWFMSO-UHFFFAOYSA-N
XLogP1.00
TPSA158.95 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.39
LogP ≤ 51.00
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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Frequently Asked Questions

What is the IUPAC name of 2-[benzenesulfonylcarbamoyl-[(4-nitrophenyl)methyl]amino]-N-hydroxyacetamide?
The IUPAC name of 2-[benzenesulfonylcarbamoyl-[(4-nitrophenyl)methyl]amino]-N-hydroxyacetamide (CID 11795715) is 2-[benzenesulfonylcarbamoyl-[(4-nitrophenyl)methyl]amino]-N-hydroxyacetamide.
What is the SMILES notation for 2-[benzenesulfonylcarbamoyl-[(4-nitrophenyl)methyl]amino]-N-hydroxyacetamide?
The canonical SMILES for 2-[benzenesulfonylcarbamoyl-[(4-nitrophenyl)methyl]amino]-N-hydroxyacetamide is O=C(CN(Cc1ccc([N+](=O)[O-])cc1)C(=O)NS(=O)(=O)c1ccccc1)NO.
What is the InChIKey of 2-[benzenesulfonylcarbamoyl-[(4-nitrophenyl)methyl]amino]-N-hydroxyacetamide?
The InChIKey is ACSSJLXQNWFMSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O7S/c21-15(17-23)11-19(10-12-6-8-13(9-7-12)20(24)25)16(22)18-28(26,27)14-4-2-1-3-5-14/h1-9,23H,10-11H2,(H,17,21)(H,18,22).
What are the key properties of 2-[benzenesulfonylcarbamoyl-[(4-nitrophenyl)methyl]amino]-N-hydroxyacetamide?
2-[benzenesulfonylcarbamoyl-[(4-nitrophenyl)methyl]amino]-N-hydroxyacetamide has a molecular weight of 408.39 g/mol, XLogP of 1.00, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzenesulfonylcarbamoyl-[(4-nitrophenyl)methyl]amino]-N-hydroxyacetamide is sourced from PubChem (CID 11795715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).