N-(2-methoxy-5-nitrophenyl)-4-(methylsulfonylmethyl)benzamide

C16H16N2O6S — CID 51160494

IUPACN-(2-methoxy-5-nitrophenyl)-4-(methylsulfonylmethyl)benzamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(CS(C)(=O)=O)cc1
InChIInChI=1S/C16H16N2O6S/c1-24-15-8-7-13(18(20)21)9-14(15)17-16(19)12-5-3-11(4-6-12)10-25(2,22)23/h3-9H,10H2,1-2H3,(H,17,19)
InChIKeyQITGFMWXFDTUTK-UHFFFAOYSA-N
MW364.38 g/mol
LogP2.40
Rot. Bonds6

About N-(2-methoxy-5-nitrophenyl)-4-(methylsulfonylmethyl)benzamide

N-(2-methoxy-5-nitrophenyl)-4-(methylsulfonylmethyl)benzamide (PubChem CID 51160494) has the molecular formula C16H16N2O6S and a molecular weight of 364.38 g/mol. Its IUPAC name is N-(2-methoxy-5-nitrophenyl)-4-(methylsulfonylmethyl)benzamide.

Molecular Properties

Compound NameN-(2-methoxy-5-nitrophenyl)-4-(methylsulfonylmethyl)benzamide
PubChem CID51160494
Molecular FormulaC16H16N2O6S
Molecular Weight364.38 g/mol
Exact Mass364.07
IUPAC NameN-(2-methoxy-5-nitrophenyl)-4-(methylsulfonylmethyl)benzamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(CS(C)(=O)=O)cc1
InChIInChI=1S/C16H16N2O6S/c1-24-15-8-7-13(18(20)21)9-14(15)17-16(19)12-5-3-11(4-6-12)10-25(2,22)23/h3-9H,10H2,1-2H3,(H,17,19)
InChIKeyQITGFMWXFDTUTK-UHFFFAOYSA-N
XLogP2.40
TPSA115.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

4-methoxy-N-(2-methoxy-5-nitrophenyl)benzamide
CID 871212
4-[dimethylsulfamoyl(methyl)amino]-N-(2-methoxy-5-nitrophenyl)benzamide
CID 92664189
4-(butanoylamino)-N-(2-methoxy-5-nitrophenyl)benzamide
CID 2162625
N-(2-methoxy-5-nitrophenyl)-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 1251026
N-(4,5-dimethoxy-2-methylphenyl)-4-(methylsulfonylmethyl)benzamide
CID 7751072
N-(2-methoxy-5-nitrophenyl)-4-(2-methylpropanoylamino)benzamide
CID 55606845
N-(2-methoxy-5-nitrophenyl)-6-methylpyridine-3-carboxamide
CID 46511382
4-butoxy-3-methoxy-N-(2-methoxy-5-nitrophenyl)benzamide
CID 2213710
N-(4-chloro-2-methoxy-5-methylphenyl)-4-(methylsulfonylmethyl)benzamide
CID 4783224
3-bromo-N-(2-methoxy-5-nitrophenyl)-4-methylbenzamide
CID 1013418
3-fluoro-N-(2-methoxy-5-nitrophenyl)-4-methylbenzamide
CID 46615926
N-(2-methoxy-5-nitrophenyl)-5-nitrofuran-2-carboxamide
CID 5154000

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-nitrophenyl)-4-(methylsulfonylmethyl)benzamide?
The IUPAC name of N-(2-methoxy-5-nitrophenyl)-4-(methylsulfonylmethyl)benzamide (CID 51160494) is N-(2-methoxy-5-nitrophenyl)-4-(methylsulfonylmethyl)benzamide.
What is the SMILES notation for N-(2-methoxy-5-nitrophenyl)-4-(methylsulfonylmethyl)benzamide?
The canonical SMILES for N-(2-methoxy-5-nitrophenyl)-4-(methylsulfonylmethyl)benzamide is COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(CS(C)(=O)=O)cc1.
What is the InChIKey of N-(2-methoxy-5-nitrophenyl)-4-(methylsulfonylmethyl)benzamide?
The InChIKey is QITGFMWXFDTUTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O6S/c1-24-15-8-7-13(18(20)21)9-14(15)17-16(19)12-5-3-11(4-6-12)10-25(2,22)23/h3-9H,10H2,1-2H3,(H,17,19).
What are the key properties of N-(2-methoxy-5-nitrophenyl)-4-(methylsulfonylmethyl)benzamide?
N-(2-methoxy-5-nitrophenyl)-4-(methylsulfonylmethyl)benzamide has a molecular weight of 364.38 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-nitrophenyl)-4-(methylsulfonylmethyl)benzamide is sourced from PubChem (CID 51160494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).