N-methoxy-N-methyl-3-[[(3-nitrobenzoyl)amino]carbamoyl]benzenesulfonamide

C16H16N4O7S — CID 35125317

IUPACN-methoxy-N-methyl-3-[[(3-nitrobenzoyl)amino]carbamoyl]benzenesulfonamide
SMILESCON(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)c1
InChIInChI=1S/C16H16N4O7S/c1-19(27-2)28(25,26)14-8-4-6-12(10-14)16(22)18-17-15(21)11-5-3-7-13(9-11)20(23)24/h3-10H,1-2H3,(H,17,21)(H,18,22)
InChIKeyNXJSZDXVZVSVGM-UHFFFAOYSA-N
MW408.39 g/mol
LogP0.85
Rot. Bonds6

About N-methoxy-N-methyl-3-[[(3-nitrobenzoyl)amino]carbamoyl]benzenesulfonamide

N-methoxy-N-methyl-3-[[(3-nitrobenzoyl)amino]carbamoyl]benzenesulfonamide (PubChem CID 35125317) has the molecular formula C16H16N4O7S and a molecular weight of 408.39 g/mol. Its IUPAC name is N-methoxy-N-methyl-3-[[(3-nitrobenzoyl)amino]carbamoyl]benzenesulfonamide.

Molecular Properties

Compound NameN-methoxy-N-methyl-3-[[(3-nitrobenzoyl)amino]carbamoyl]benzenesulfonamide
PubChem CID35125317
Molecular FormulaC16H16N4O7S
Molecular Weight408.39 g/mol
Exact Mass408.07
IUPAC NameN-methoxy-N-methyl-3-[[(3-nitrobenzoyl)amino]carbamoyl]benzenesulfonamide
SMILESCON(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)c1
InChIInChI=1S/C16H16N4O7S/c1-19(27-2)28(25,26)14-8-4-6-12(10-14)16(22)18-17-15(21)11-5-3-7-13(9-11)20(23)24/h3-10H,1-2H3,(H,17,21)(H,18,22)
InChIKeyNXJSZDXVZVSVGM-UHFFFAOYSA-N
XLogP0.85
TPSA147.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.39
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

3-[methoxy(methyl)sulfamoyl]-N-(2-methyl-3-nitrophenyl)benzamide
CID 9270787
N-methoxy-4-[[(3-nitrobenzoyl)amino]carbamoyl]benzenesulfonamide
CID 55704286
N-[3-(dimethylsulfamoyl)phenyl]-3-nitrobenzamide
CID 9093681
N'-(2-methoxyacetyl)-3-nitrobenzohydrazide
CID 17386589
3-[methoxy(methyl)sulfamoyl]-N-(3-methylbutan-2-yl)benzamide
CID 51250979
[(1R)-1-(3-nitrophenyl)ethyl] 4-[methoxy(methyl)sulfamoyl]benzoate
CID 8958360
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-3-nitrobenzamide
CID 7921738
N-methoxy-N-methyl-3-(6-nitro-2,3-dihydroindole-1-carbonyl)benzenesulfonamide
CID 37161571
N'-(4-methylbenzoyl)-3-nitrobenzohydrazide
CID 4506110
N-(2,6-diethylphenyl)-3-[methoxy(methyl)sulfamoyl]benzamide
CID 18197987
3-[[(3-methoxybenzoyl)amino]carbamoyl]-N,N-dimethylbenzenesulfonamide
CID 9473161
N'-(3-methylbutanoyl)-3-nitrobenzohydrazide
CID 9333812

Frequently Asked Questions

What is the IUPAC name of N-methoxy-N-methyl-3-[[(3-nitrobenzoyl)amino]carbamoyl]benzenesulfonamide?
The IUPAC name of N-methoxy-N-methyl-3-[[(3-nitrobenzoyl)amino]carbamoyl]benzenesulfonamide (CID 35125317) is N-methoxy-N-methyl-3-[[(3-nitrobenzoyl)amino]carbamoyl]benzenesulfonamide.
What is the SMILES notation for N-methoxy-N-methyl-3-[[(3-nitrobenzoyl)amino]carbamoyl]benzenesulfonamide?
The canonical SMILES for N-methoxy-N-methyl-3-[[(3-nitrobenzoyl)amino]carbamoyl]benzenesulfonamide is CON(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)c1.
What is the InChIKey of N-methoxy-N-methyl-3-[[(3-nitrobenzoyl)amino]carbamoyl]benzenesulfonamide?
The InChIKey is NXJSZDXVZVSVGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O7S/c1-19(27-2)28(25,26)14-8-4-6-12(10-14)16(22)18-17-15(21)11-5-3-7-13(9-11)20(23)24/h3-10H,1-2H3,(H,17,21)(H,18,22).
What are the key properties of N-methoxy-N-methyl-3-[[(3-nitrobenzoyl)amino]carbamoyl]benzenesulfonamide?
N-methoxy-N-methyl-3-[[(3-nitrobenzoyl)amino]carbamoyl]benzenesulfonamide has a molecular weight of 408.39 g/mol, XLogP of 0.85, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N-methyl-3-[[(3-nitrobenzoyl)amino]carbamoyl]benzenesulfonamide is sourced from PubChem (CID 35125317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).