N-methyl-4-[[methyl-(2-nitrophenyl)sulfonylamino]methyl]benzamide

C16H17N3O5S — CID 26541999

IUPACN-methyl-4-[[methyl-(2-nitrophenyl)sulfonylamino]methyl]benzamide
SMILESCNC(=O)c1ccc(CN(C)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C16H17N3O5S/c1-17-16(20)13-9-7-12(8-10-13)11-18(2)25(23,24)15-6-4-3-5-14(15)19(21)22/h3-10H,11H2,1-2H3,(H,17,20)
InChIKeyWPBQKRXLMZASNO-UHFFFAOYSA-N
MW363.40 g/mol
LogP1.78
Rot. Bonds6

About N-methyl-4-[[methyl-(2-nitrophenyl)sulfonylamino]methyl]benzamide

N-methyl-4-[[methyl-(2-nitrophenyl)sulfonylamino]methyl]benzamide (PubChem CID 26541999) has the molecular formula C16H17N3O5S and a molecular weight of 363.40 g/mol. Its IUPAC name is N-methyl-4-[[methyl-(2-nitrophenyl)sulfonylamino]methyl]benzamide.

Molecular Properties

Compound NameN-methyl-4-[[methyl-(2-nitrophenyl)sulfonylamino]methyl]benzamide
PubChem CID26541999
Molecular FormulaC16H17N3O5S
Molecular Weight363.40 g/mol
Exact Mass363.09
IUPAC NameN-methyl-4-[[methyl-(2-nitrophenyl)sulfonylamino]methyl]benzamide
SMILESCNC(=O)c1ccc(CN(C)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C16H17N3O5S/c1-17-16(20)13-9-7-12(8-10-13)11-18(2)25(23,24)15-6-4-3-5-14(15)19(21)22/h3-10H,11H2,1-2H3,(H,17,20)
InChIKeyWPBQKRXLMZASNO-UHFFFAOYSA-N
XLogP1.78
TPSA109.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.40
LogP ≤ 51.78
H-Bond Donors ≤ 51
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

4-[[(2-methoxyphenyl)sulfonyl-methylamino]methyl]-N-methylbenzamide
CID 51249500
N-methyl-4-[[methyl-(4-nitrophenyl)sulfonylamino]methyl]benzamide
CID 26541991
N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-nitrobenzenesulfonamide
CID 26941888
4-[[benzenesulfonyl(methyl)amino]methyl]-N-methylbenzamide
CID 26541994
N-cyclopropyl-4-[[methyl-(2-methyl-3-nitrophenyl)sulfonylamino]methyl]benzamide
CID 35383768
4-[[(2,5-dichlorophenyl)sulfonyl-methylamino]methyl]-N-methylbenzamide
CID 26542014
4-[[4-(dimethylamino)phenyl]methyl-methylsulfamoyl]-N-methylbenzamide
CID 24525671
N-methyl-4-[[methyl-[2-(2-methyl-6-nitroanilino)-2-oxoethyl]amino]methyl]benzamide
CID 9123048
4-[[(2,4-dimethylphenyl)sulfonyl-methylamino]methyl]-N-methylbenzamide
CID 26542020
N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-4-methylsulfonyl-3-nitrobenzamide
CID 8965565
N-methyl-4-[[methyl-[(E)-3-(2-nitrophenyl)prop-2-enoyl]amino]methyl]benzamide
CID 8964734
4-[[ethylsulfonyl(methyl)amino]methyl]-N-methylbenzamide
CID 47371529

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[[methyl-(2-nitrophenyl)sulfonylamino]methyl]benzamide?
The IUPAC name of N-methyl-4-[[methyl-(2-nitrophenyl)sulfonylamino]methyl]benzamide (CID 26541999) is N-methyl-4-[[methyl-(2-nitrophenyl)sulfonylamino]methyl]benzamide.
What is the SMILES notation for N-methyl-4-[[methyl-(2-nitrophenyl)sulfonylamino]methyl]benzamide?
The canonical SMILES for N-methyl-4-[[methyl-(2-nitrophenyl)sulfonylamino]methyl]benzamide is CNC(=O)c1ccc(CN(C)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1.
What is the InChIKey of N-methyl-4-[[methyl-(2-nitrophenyl)sulfonylamino]methyl]benzamide?
The InChIKey is WPBQKRXLMZASNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O5S/c1-17-16(20)13-9-7-12(8-10-13)11-18(2)25(23,24)15-6-4-3-5-14(15)19(21)22/h3-10H,11H2,1-2H3,(H,17,20).
What are the key properties of N-methyl-4-[[methyl-(2-nitrophenyl)sulfonylamino]methyl]benzamide?
N-methyl-4-[[methyl-(2-nitrophenyl)sulfonylamino]methyl]benzamide has a molecular weight of 363.40 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[[methyl-(2-nitrophenyl)sulfonylamino]methyl]benzamide is sourced from PubChem (CID 26541999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).