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

C15H15N3O6S — CID 10737552

IUPAC2-[benzenesulfonyl-[(4-nitrophenyl)methyl]amino]-N-hydroxyacetamide
SMILESO=C(CN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)NO
InChIInChI=1S/C15H15N3O6S/c19-15(16-20)11-17(25(23,24)14-4-2-1-3-5-14)10-12-6-8-13(9-7-12)18(21)22/h1-9,20H,10-11H2,(H,16,19)
InChIKeyNJSIDFBPVWKNNH-UHFFFAOYSA-N
MW365.37 g/mol
LogP1.29
Rot. Bonds7

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

2-[benzenesulfonyl-[(4-nitrophenyl)methyl]amino]-N-hydroxyacetamide (PubChem CID 10737552) has the molecular formula C15H15N3O6S and a molecular weight of 365.37 g/mol. Its IUPAC name is 2-[benzenesulfonyl-[(4-nitrophenyl)methyl]amino]-N-hydroxyacetamide.

Molecular Properties

Compound Name2-[benzenesulfonyl-[(4-nitrophenyl)methyl]amino]-N-hydroxyacetamide
PubChem CID10737552
Molecular FormulaC15H15N3O6S
Molecular Weight365.37 g/mol
Exact Mass365.07
IUPAC Name2-[benzenesulfonyl-[(4-nitrophenyl)methyl]amino]-N-hydroxyacetamide
SMILESO=C(CN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)NO
InChIInChI=1S/C15H15N3O6S/c19-15(16-20)11-17(25(23,24)14-4-2-1-3-5-14)10-12-6-8-13(9-7-12)18(21)22/h1-9,20H,10-11H2,(H,16,19)
InChIKeyNJSIDFBPVWKNNH-UHFFFAOYSA-N
XLogP1.29
TPSA129.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.37
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-[benzenesulfonyl-[(4-nitrophenyl)methyl]amino]-N-hydroxyacetamide?
The IUPAC name of 2-[benzenesulfonyl-[(4-nitrophenyl)methyl]amino]-N-hydroxyacetamide (CID 10737552) is 2-[benzenesulfonyl-[(4-nitrophenyl)methyl]amino]-N-hydroxyacetamide.
What is the SMILES notation for 2-[benzenesulfonyl-[(4-nitrophenyl)methyl]amino]-N-hydroxyacetamide?
The canonical SMILES for 2-[benzenesulfonyl-[(4-nitrophenyl)methyl]amino]-N-hydroxyacetamide is O=C(CN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)NO.
What is the InChIKey of 2-[benzenesulfonyl-[(4-nitrophenyl)methyl]amino]-N-hydroxyacetamide?
The InChIKey is NJSIDFBPVWKNNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O6S/c19-15(16-20)11-17(25(23,24)14-4-2-1-3-5-14)10-12-6-8-13(9-7-12)18(21)22/h1-9,20H,10-11H2,(H,16,19).
What are the key properties of 2-[benzenesulfonyl-[(4-nitrophenyl)methyl]amino]-N-hydroxyacetamide?
2-[benzenesulfonyl-[(4-nitrophenyl)methyl]amino]-N-hydroxyacetamide has a molecular weight of 365.37 g/mol, XLogP of 1.29, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzenesulfonyl-[(4-nitrophenyl)methyl]amino]-N-hydroxyacetamide is sourced from PubChem (CID 10737552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).