N-benzyl-N-(2-nitrophenyl)sulfonylacetamide

C15H14N2O5S — CID 101350164

IUPACN-benzyl-N-(2-nitrophenyl)sulfonylacetamide
SMILESCC(=O)N(Cc1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C15H14N2O5S/c1-12(18)16(11-13-7-3-2-4-8-13)23(21,22)15-10-6-5-9-14(15)17(19)20/h2-10H,11H2,1H3
InChIKeyPFHULEKTPZXSSF-UHFFFAOYSA-N
MW334.35 g/mol
LogP2.33
Rot. Bonds5

About N-benzyl-N-(2-nitrophenyl)sulfonylacetamide

N-benzyl-N-(2-nitrophenyl)sulfonylacetamide (PubChem CID 101350164) has the molecular formula C15H14N2O5S and a molecular weight of 334.35 g/mol. Its IUPAC name is N-benzyl-N-(2-nitrophenyl)sulfonylacetamide.

Molecular Properties

Compound NameN-benzyl-N-(2-nitrophenyl)sulfonylacetamide
PubChem CID101350164
Molecular FormulaC15H14N2O5S
Molecular Weight334.35 g/mol
Exact Mass334.06
IUPAC NameN-benzyl-N-(2-nitrophenyl)sulfonylacetamide
SMILESCC(=O)N(Cc1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C15H14N2O5S/c1-12(18)16(11-13-7-3-2-4-8-13)23(21,22)15-10-6-5-9-14(15)17(19)20/h2-10H,11H2,1H3
InChIKeyPFHULEKTPZXSSF-UHFFFAOYSA-N
XLogP2.33
TPSA97.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-[benzyl-(2-nitrophenyl)sulfonylamino]-3-methylbutanoic acid
CID 10500709
N-benzyl-N-methyl-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide
CID 30173687
N-benzyl-2-nitro-N-(2-oxoethyl)benzenesulfonamide
CID 59106656
N-benzyl-2-nitro-N-pyridin-2-ylbenzenesulfonamide
CID 3534369
N-benzyl-2-nitro-N-(1-phenoxypropan-2-yl)benzenesulfonamide
CID 141311472
N-methyl-4-[[methyl-(2-nitrophenyl)sulfonylamino]methyl]benzamide
CID 26541999
3-amino-2-methyl-2-[methyl-(2-nitrophenyl)sulfonylamino]propanoic acid
CID 175359494
N-benzyl-N-pyridin-2-ylsulfonylacetamide
CID 102301715
N-(3-hydroxybutyl)-2-nitro-N-(2-phenylethyl)benzenesulfonamide
CID 11047095
N-benzyl-2-nitro-N-[(2R)-1-phenylbut-3-en-2-yl]benzenesulfonamide
CID 101036600
N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-nitrobenzenesulfonamide
CID 26941888
N-[(2R)-3-(dibenzylamino)-2-hydroxypropyl]-N-(4-methylphenyl)-2-nitrobenzenesulfonamide
CID 92852254

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(2-nitrophenyl)sulfonylacetamide?
The IUPAC name of N-benzyl-N-(2-nitrophenyl)sulfonylacetamide (CID 101350164) is N-benzyl-N-(2-nitrophenyl)sulfonylacetamide.
What is the SMILES notation for N-benzyl-N-(2-nitrophenyl)sulfonylacetamide?
The canonical SMILES for N-benzyl-N-(2-nitrophenyl)sulfonylacetamide is CC(=O)N(Cc1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-].
What is the InChIKey of N-benzyl-N-(2-nitrophenyl)sulfonylacetamide?
The InChIKey is PFHULEKTPZXSSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O5S/c1-12(18)16(11-13-7-3-2-4-8-13)23(21,22)15-10-6-5-9-14(15)17(19)20/h2-10H,11H2,1H3.
What are the key properties of N-benzyl-N-(2-nitrophenyl)sulfonylacetamide?
N-benzyl-N-(2-nitrophenyl)sulfonylacetamide has a molecular weight of 334.35 g/mol, XLogP of 2.33, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(2-nitrophenyl)sulfonylacetamide is sourced from PubChem (CID 101350164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).