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

C16H15FN4O7S — CID 10693698

IUPAC2-[(4-fluorophenyl)sulfonylcarbamoyl-[(4-nitrophenyl)methyl]amino]-N-hydroxyacetamide
SMILESO=C(CN(Cc1ccc([N+](=O)[O-])cc1)C(=O)NS(=O)(=O)c1ccc(F)cc1)NO
InChIInChI=1S/C16H15FN4O7S/c17-12-3-7-14(8-4-12)29(27,28)19-16(23)20(10-15(22)18-24)9-11-1-5-13(6-2-11)21(25)26/h1-8,24H,9-10H2,(H,18,22)(H,19,23)
InChIKeyDMOIDCGAIGWXGJ-UHFFFAOYSA-N
MW426.38 g/mol
LogP1.14
Rot. Bonds7

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

2-[(4-fluorophenyl)sulfonylcarbamoyl-[(4-nitrophenyl)methyl]amino]-N-hydroxyacetamide (PubChem CID 10693698) has the molecular formula C16H15FN4O7S and a molecular weight of 426.38 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)sulfonylcarbamoyl-[(4-nitrophenyl)methyl]amino]-N-hydroxyacetamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)sulfonylcarbamoyl-[(4-nitrophenyl)methyl]amino]-N-hydroxyacetamide
PubChem CID10693698
Molecular FormulaC16H15FN4O7S
Molecular Weight426.38 g/mol
Exact Mass426.06
IUPAC Name2-[(4-fluorophenyl)sulfonylcarbamoyl-[(4-nitrophenyl)methyl]amino]-N-hydroxyacetamide
SMILESO=C(CN(Cc1ccc([N+](=O)[O-])cc1)C(=O)NS(=O)(=O)c1ccc(F)cc1)NO
InChIInChI=1S/C16H15FN4O7S/c17-12-3-7-14(8-4-12)29(27,28)19-16(23)20(10-15(22)18-24)9-11-1-5-13(6-2-11)21(25)26/h1-8,24H,9-10H2,(H,18,22)(H,19,23)
InChIKeyDMOIDCGAIGWXGJ-UHFFFAOYSA-N
XLogP1.14
TPSA158.95 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.38
LogP ≤ 51.14
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-[(4-fluorophenyl)sulfonylcarbamoyl-[(4-nitrophenyl)methyl]amino]-N-hydroxyacetamide?
The IUPAC name of 2-[(4-fluorophenyl)sulfonylcarbamoyl-[(4-nitrophenyl)methyl]amino]-N-hydroxyacetamide (CID 10693698) is 2-[(4-fluorophenyl)sulfonylcarbamoyl-[(4-nitrophenyl)methyl]amino]-N-hydroxyacetamide.
What is the SMILES notation for 2-[(4-fluorophenyl)sulfonylcarbamoyl-[(4-nitrophenyl)methyl]amino]-N-hydroxyacetamide?
The canonical SMILES for 2-[(4-fluorophenyl)sulfonylcarbamoyl-[(4-nitrophenyl)methyl]amino]-N-hydroxyacetamide is O=C(CN(Cc1ccc([N+](=O)[O-])cc1)C(=O)NS(=O)(=O)c1ccc(F)cc1)NO.
What is the InChIKey of 2-[(4-fluorophenyl)sulfonylcarbamoyl-[(4-nitrophenyl)methyl]amino]-N-hydroxyacetamide?
The InChIKey is DMOIDCGAIGWXGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4O7S/c17-12-3-7-14(8-4-12)29(27,28)19-16(23)20(10-15(22)18-24)9-11-1-5-13(6-2-11)21(25)26/h1-8,24H,9-10H2,(H,18,22)(H,19,23).
What are the key properties of 2-[(4-fluorophenyl)sulfonylcarbamoyl-[(4-nitrophenyl)methyl]amino]-N-hydroxyacetamide?
2-[(4-fluorophenyl)sulfonylcarbamoyl-[(4-nitrophenyl)methyl]amino]-N-hydroxyacetamide has a molecular weight of 426.38 g/mol, XLogP of 1.14, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)sulfonylcarbamoyl-[(4-nitrophenyl)methyl]amino]-N-hydroxyacetamide is sourced from PubChem (CID 10693698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).