3-[methoxy(methyl)sulfamoyl]-N-(2-methyl-3-nitrophenyl)benzamide

C16H17N3O6S — CID 9270787

IUPAC3-[methoxy(methyl)sulfamoyl]-N-(2-methyl-3-nitrophenyl)benzamide
SMILESCON(C)S(=O)(=O)c1cccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)c1
InChIInChI=1S/C16H17N3O6S/c1-11-14(8-5-9-15(11)19(21)22)17-16(20)12-6-4-7-13(10-12)26(23,24)18(2)25-3/h4-10H,1-3H3,(H,17,20)
InChIKeyWKGHYJKWRBTVNH-UHFFFAOYSA-N
MW379.39 g/mol
LogP2.34
Rot. Bonds6

About 3-[methoxy(methyl)sulfamoyl]-N-(2-methyl-3-nitrophenyl)benzamide

3-[methoxy(methyl)sulfamoyl]-N-(2-methyl-3-nitrophenyl)benzamide (PubChem CID 9270787) has the molecular formula C16H17N3O6S and a molecular weight of 379.39 g/mol. Its IUPAC name is 3-[methoxy(methyl)sulfamoyl]-N-(2-methyl-3-nitrophenyl)benzamide.

Molecular Properties

Compound Name3-[methoxy(methyl)sulfamoyl]-N-(2-methyl-3-nitrophenyl)benzamide
PubChem CID9270787
Molecular FormulaC16H17N3O6S
Molecular Weight379.39 g/mol
Exact Mass379.08
IUPAC Name3-[methoxy(methyl)sulfamoyl]-N-(2-methyl-3-nitrophenyl)benzamide
SMILESCON(C)S(=O)(=O)c1cccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)c1
InChIInChI=1S/C16H17N3O6S/c1-11-14(8-5-9-15(11)19(21)22)17-16(20)12-6-4-7-13(10-12)26(23,24)18(2)25-3/h4-10H,1-3H3,(H,17,20)
InChIKeyWKGHYJKWRBTVNH-UHFFFAOYSA-N
XLogP2.34
TPSA118.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.39
LogP ≤ 52.34
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

N-methoxy-N-methyl-3-[[(3-nitrobenzoyl)amino]carbamoyl]benzenesulfonamide
CID 35125317
3-(ethylsulfamoyl)-N-(2-methyl-3-nitrophenyl)benzamide
CID 26796668
N-(4,5-dimethoxy-2-methylphenyl)-3-[methoxy(methyl)sulfamoyl]benzamide
CID 18198075
N-(5-fluoro-2-methylphenyl)-3-[methoxy(methyl)sulfamoyl]benzamide
CID 9208555
3-chloro-N-(2-methyl-3-nitrophenyl)benzamide
CID 4111070
3-[methoxy(methyl)sulfamoyl]-N-(2,3,4-trifluorophenyl)benzamide
CID 18197948
N-(2-methyl-3-nitrophenyl)-3-propan-2-yloxybenzamide
CID 17142403
3-iodo-4-methoxy-N-(2-methyl-3-nitrophenyl)benzamide
CID 5186267
[2-(2-methyl-3-nitroanilino)-2-oxoethyl] 3-(diethylsulfamoyl)benzoate
CID 2505674
N-(2-methyl-3-nitrophenyl)-2-oxo-1H-pyridine-4-carboxamide
CID 103763240
N-(2-chloro-4-fluorophenyl)-3-[methoxy(methyl)sulfamoyl]benzamide
CID 51204944
N-(2,6-diethylphenyl)-3-[methoxy(methyl)sulfamoyl]benzamide
CID 18197987

Frequently Asked Questions

What is the IUPAC name of 3-[methoxy(methyl)sulfamoyl]-N-(2-methyl-3-nitrophenyl)benzamide?
The IUPAC name of 3-[methoxy(methyl)sulfamoyl]-N-(2-methyl-3-nitrophenyl)benzamide (CID 9270787) is 3-[methoxy(methyl)sulfamoyl]-N-(2-methyl-3-nitrophenyl)benzamide.
What is the SMILES notation for 3-[methoxy(methyl)sulfamoyl]-N-(2-methyl-3-nitrophenyl)benzamide?
The canonical SMILES for 3-[methoxy(methyl)sulfamoyl]-N-(2-methyl-3-nitrophenyl)benzamide is CON(C)S(=O)(=O)c1cccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)c1.
What is the InChIKey of 3-[methoxy(methyl)sulfamoyl]-N-(2-methyl-3-nitrophenyl)benzamide?
The InChIKey is WKGHYJKWRBTVNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O6S/c1-11-14(8-5-9-15(11)19(21)22)17-16(20)12-6-4-7-13(10-12)26(23,24)18(2)25-3/h4-10H,1-3H3,(H,17,20).
What are the key properties of 3-[methoxy(methyl)sulfamoyl]-N-(2-methyl-3-nitrophenyl)benzamide?
3-[methoxy(methyl)sulfamoyl]-N-(2-methyl-3-nitrophenyl)benzamide has a molecular weight of 379.39 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methoxy(methyl)sulfamoyl]-N-(2-methyl-3-nitrophenyl)benzamide is sourced from PubChem (CID 9270787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).