N-hydroxy-2-[methylsulfonyl-[(4-nitrophenyl)methyl]amino]acetamide

C10H13N3O6S — CID 10780743

IUPACN-hydroxy-2-[methylsulfonyl-[(4-nitrophenyl)methyl]amino]acetamide
SMILESCS(=O)(=O)N(CC(=O)NO)Cc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C10H13N3O6S/c1-20(18,19)12(7-10(14)11-15)6-8-2-4-9(5-3-8)13(16)17/h2-5,15H,6-7H2,1H3,(H,11,14)
InChIKeyHOSIVTBRRYYOOH-UHFFFAOYSA-N
MW303.30 g/mol
LogP-0.14
Rot. Bonds6

About N-hydroxy-2-[methylsulfonyl-[(4-nitrophenyl)methyl]amino]acetamide

N-hydroxy-2-[methylsulfonyl-[(4-nitrophenyl)methyl]amino]acetamide (PubChem CID 10780743) has the molecular formula C10H13N3O6S and a molecular weight of 303.30 g/mol. Its IUPAC name is N-hydroxy-2-[methylsulfonyl-[(4-nitrophenyl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-hydroxy-2-[methylsulfonyl-[(4-nitrophenyl)methyl]amino]acetamide
PubChem CID10780743
Molecular FormulaC10H13N3O6S
Molecular Weight303.30 g/mol
Exact Mass303.05
IUPAC NameN-hydroxy-2-[methylsulfonyl-[(4-nitrophenyl)methyl]amino]acetamide
SMILESCS(=O)(=O)N(CC(=O)NO)Cc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C10H13N3O6S/c1-20(18,19)12(7-10(14)11-15)6-8-2-4-9(5-3-8)13(16)17/h2-5,15H,6-7H2,1H3,(H,11,14)
InChIKeyHOSIVTBRRYYOOH-UHFFFAOYSA-N
XLogP-0.14
TPSA129.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.30
LogP ≤ 5-0.14
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 N-hydroxy-2-[methylsulfonyl-[(4-nitrophenyl)methyl]amino]acetamide?
The IUPAC name of N-hydroxy-2-[methylsulfonyl-[(4-nitrophenyl)methyl]amino]acetamide (CID 10780743) is N-hydroxy-2-[methylsulfonyl-[(4-nitrophenyl)methyl]amino]acetamide.
What is the SMILES notation for N-hydroxy-2-[methylsulfonyl-[(4-nitrophenyl)methyl]amino]acetamide?
The canonical SMILES for N-hydroxy-2-[methylsulfonyl-[(4-nitrophenyl)methyl]amino]acetamide is CS(=O)(=O)N(CC(=O)NO)Cc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-hydroxy-2-[methylsulfonyl-[(4-nitrophenyl)methyl]amino]acetamide?
The InChIKey is HOSIVTBRRYYOOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O6S/c1-20(18,19)12(7-10(14)11-15)6-8-2-4-9(5-3-8)13(16)17/h2-5,15H,6-7H2,1H3,(H,11,14).
What are the key properties of N-hydroxy-2-[methylsulfonyl-[(4-nitrophenyl)methyl]amino]acetamide?
N-hydroxy-2-[methylsulfonyl-[(4-nitrophenyl)methyl]amino]acetamide has a molecular weight of 303.30 g/mol, XLogP of -0.14, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[methylsulfonyl-[(4-nitrophenyl)methyl]amino]acetamide is sourced from PubChem (CID 10780743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).