N-(4-methoxy-2-nitrophenyl)-2-methylsulfonylbenzamide

C15H14N2O6S — CID 7267049

IUPACN-(4-methoxy-2-nitrophenyl)-2-methylsulfonylbenzamide
SMILESCOc1ccc(NC(=O)c2ccccc2S(C)(=O)=O)c([N+](=O)[O-])c1
InChIInChI=1S/C15H14N2O6S/c1-23-10-7-8-12(13(9-10)17(19)20)16-15(18)11-5-3-4-6-14(11)24(2,21)22/h3-9H,1-2H3,(H,16,18)
InChIKeyMJVRHGJIFIZGNX-UHFFFAOYSA-N
MW350.35 g/mol
LogP2.26
Rot. Bonds5

About N-(4-methoxy-2-nitrophenyl)-2-methylsulfonylbenzamide

N-(4-methoxy-2-nitrophenyl)-2-methylsulfonylbenzamide (PubChem CID 7267049) has the molecular formula C15H14N2O6S and a molecular weight of 350.35 g/mol. Its IUPAC name is N-(4-methoxy-2-nitrophenyl)-2-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-(4-methoxy-2-nitrophenyl)-2-methylsulfonylbenzamide
PubChem CID7267049
Molecular FormulaC15H14N2O6S
Molecular Weight350.35 g/mol
Exact Mass350.06
IUPAC NameN-(4-methoxy-2-nitrophenyl)-2-methylsulfonylbenzamide
SMILESCOc1ccc(NC(=O)c2ccccc2S(C)(=O)=O)c([N+](=O)[O-])c1
InChIInChI=1S/C15H14N2O6S/c1-23-10-7-8-12(13(9-10)17(19)20)16-15(18)11-5-3-4-6-14(11)24(2,21)22/h3-9H,1-2H3,(H,16,18)
InChIKeyMJVRHGJIFIZGNX-UHFFFAOYSA-N
XLogP2.26
TPSA115.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.35
LogP ≤ 52.26
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

2-hydroxy-N-(4-methoxy-2-nitrophenyl)benzamide
CID 2798189
2-chloro-N-(4-methoxy-2-nitrophenyl)benzamide
CID 3101364
3-methoxy-N-(4-methoxy-2-nitrophenyl)naphthalene-2-carboxamide
CID 3539530
N-(2-methylsulfonylphenyl)-2-nitrobenzamide
CID 22245129
2-N,6-N-bis(4-methoxy-2-nitrophenyl)pyridine-2,6-dicarboxamide
CID 3620305
2,4-dimethoxy-N-(2-nitrophenyl)benzamide
CID 5149681
N,N'-bis(4-methoxy-2-nitrophenyl)-2-phenylpropanediamide
CID 3394012
2-(2-acetylanilino)-N-(4-methoxy-2-nitrophenyl)acetamide
CID 9103856
4-bromo-N-(4-methoxy-2-nitrophenyl)benzamide
CID 2828426
N-(4-methoxy-2-nitrophenyl)-2,2-dimethylbutanamide
CID 3140520
N-(4-methoxy-2-nitrophenyl)-2-phenylacetamide
CID 3101369
N-[2-[[2-(4-methoxy-2-nitroanilino)-2-oxoethyl]amino]phenyl]benzamide
CID 31983699

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-2-nitrophenyl)-2-methylsulfonylbenzamide?
The IUPAC name of N-(4-methoxy-2-nitrophenyl)-2-methylsulfonylbenzamide (CID 7267049) is N-(4-methoxy-2-nitrophenyl)-2-methylsulfonylbenzamide.
What is the SMILES notation for N-(4-methoxy-2-nitrophenyl)-2-methylsulfonylbenzamide?
The canonical SMILES for N-(4-methoxy-2-nitrophenyl)-2-methylsulfonylbenzamide is COc1ccc(NC(=O)c2ccccc2S(C)(=O)=O)c([N+](=O)[O-])c1.
What is the InChIKey of N-(4-methoxy-2-nitrophenyl)-2-methylsulfonylbenzamide?
The InChIKey is MJVRHGJIFIZGNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O6S/c1-23-10-7-8-12(13(9-10)17(19)20)16-15(18)11-5-3-4-6-14(11)24(2,21)22/h3-9H,1-2H3,(H,16,18).
What are the key properties of N-(4-methoxy-2-nitrophenyl)-2-methylsulfonylbenzamide?
N-(4-methoxy-2-nitrophenyl)-2-methylsulfonylbenzamide has a molecular weight of 350.35 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-2-nitrophenyl)-2-methylsulfonylbenzamide is sourced from PubChem (CID 7267049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).