4-[dimethylsulfamoyl(methyl)amino]-N-(2-methoxy-5-nitrophenyl)benzamide

C17H20N4O6S — CID 92664189

IUPAC4-[dimethylsulfamoyl(methyl)amino]-N-(2-methoxy-5-nitrophenyl)benzamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(N(C)S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C17H20N4O6S/c1-19(2)28(25,26)20(3)13-7-5-12(6-8-13)17(22)18-15-11-14(21(23)24)9-10-16(15)27-4/h5-11H,1-4H3,(H,18,22)
InChIKeyMYXGZGAAVCSLOT-UHFFFAOYSA-N
MW408.44 g/mol
LogP2.10
Rot. Bonds7

About 4-[dimethylsulfamoyl(methyl)amino]-N-(2-methoxy-5-nitrophenyl)benzamide

4-[dimethylsulfamoyl(methyl)amino]-N-(2-methoxy-5-nitrophenyl)benzamide (PubChem CID 92664189) has the molecular formula C17H20N4O6S and a molecular weight of 408.44 g/mol. Its IUPAC name is 4-[dimethylsulfamoyl(methyl)amino]-N-(2-methoxy-5-nitrophenyl)benzamide.

Molecular Properties

Compound Name4-[dimethylsulfamoyl(methyl)amino]-N-(2-methoxy-5-nitrophenyl)benzamide
PubChem CID92664189
Molecular FormulaC17H20N4O6S
Molecular Weight408.44 g/mol
Exact Mass408.11
IUPAC Name4-[dimethylsulfamoyl(methyl)amino]-N-(2-methoxy-5-nitrophenyl)benzamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(N(C)S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C17H20N4O6S/c1-19(2)28(25,26)20(3)13-7-5-12(6-8-13)17(22)18-15-11-14(21(23)24)9-10-16(15)27-4/h5-11H,1-4H3,(H,18,22)
InChIKeyMYXGZGAAVCSLOT-UHFFFAOYSA-N
XLogP2.10
TPSA122.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.44
LogP ≤ 52.10
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
N-(2-methoxy-5-nitrophenyl)-4-(methylsulfonylmethyl)benzamide
CID 51160494
4-[ethyl-(4-methylsulfanylphenyl)sulfonylamino]-N-(2-methoxy-5-nitrophenyl)benzamide
CID 28591624
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-3-nitrobenzamide
CID 7921738
N-(2-methoxy-5-nitrophenyl)-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 1251026
6-chloro-N-(2-methoxy-5-nitrophenyl)pyridine-3-carboxamide
CID 2108909
N-(2-methoxy-5-nitrophenyl)-4-(2-methylpropanoylamino)benzamide
CID 55606845
N-(2-methoxy-5-nitrophenyl)-6-methylpyridine-3-carboxamide
CID 46511382
3-bromo-N-(2-methoxy-5-nitrophenyl)-4-methylbenzamide
CID 1013418
3-fluoro-N-(2-methoxy-5-nitrophenyl)-4-methylbenzamide
CID 46615926
4-(butanoylamino)-N-(2-methoxy-5-nitrophenyl)benzamide
CID 2162625
methyl 3-[[5-(dimethylsulfamoyl)-2-methoxyphenyl]carbamoyl]-5-nitrobenzoate
CID 18209003

Frequently Asked Questions

What is the IUPAC name of 4-[dimethylsulfamoyl(methyl)amino]-N-(2-methoxy-5-nitrophenyl)benzamide?
The IUPAC name of 4-[dimethylsulfamoyl(methyl)amino]-N-(2-methoxy-5-nitrophenyl)benzamide (CID 92664189) is 4-[dimethylsulfamoyl(methyl)amino]-N-(2-methoxy-5-nitrophenyl)benzamide.
What is the SMILES notation for 4-[dimethylsulfamoyl(methyl)amino]-N-(2-methoxy-5-nitrophenyl)benzamide?
The canonical SMILES for 4-[dimethylsulfamoyl(methyl)amino]-N-(2-methoxy-5-nitrophenyl)benzamide is COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(N(C)S(=O)(=O)N(C)C)cc1.
What is the InChIKey of 4-[dimethylsulfamoyl(methyl)amino]-N-(2-methoxy-5-nitrophenyl)benzamide?
The InChIKey is MYXGZGAAVCSLOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O6S/c1-19(2)28(25,26)20(3)13-7-5-12(6-8-13)17(22)18-15-11-14(21(23)24)9-10-16(15)27-4/h5-11H,1-4H3,(H,18,22).
What are the key properties of 4-[dimethylsulfamoyl(methyl)amino]-N-(2-methoxy-5-nitrophenyl)benzamide?
4-[dimethylsulfamoyl(methyl)amino]-N-(2-methoxy-5-nitrophenyl)benzamide has a molecular weight of 408.44 g/mol, XLogP of 2.10, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[dimethylsulfamoyl(methyl)amino]-N-(2-methoxy-5-nitrophenyl)benzamide is sourced from PubChem (CID 92664189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).