N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-(methylamino)-5-nitrobenzamide

C17H20N4O6S — CID 16963244

IUPACN-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-(methylamino)-5-nitrobenzamide
SMILESCNc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1OC
InChIInChI=1S/C17H20N4O6S/c1-18-14-7-5-11(21(23)24)9-13(14)17(22)19-15-10-12(6-8-16(15)27-4)28(25,26)20(2)3/h5-10,18H,1-4H3,(H,19,22)
InChIKeyZLOREIYZBKLREV-UHFFFAOYSA-N
MW408.44 g/mol
LogP2.15
Rot. Bonds7

About N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-(methylamino)-5-nitrobenzamide

N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-(methylamino)-5-nitrobenzamide (PubChem CID 16963244) has the molecular formula C17H20N4O6S and a molecular weight of 408.44 g/mol. Its IUPAC name is N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-(methylamino)-5-nitrobenzamide.

Molecular Properties

Compound NameN-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-(methylamino)-5-nitrobenzamide
PubChem CID16963244
Molecular FormulaC17H20N4O6S
Molecular Weight408.44 g/mol
Exact Mass408.11
IUPAC NameN-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-(methylamino)-5-nitrobenzamide
SMILESCNc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1OC
InChIInChI=1S/C17H20N4O6S/c1-18-14-7-5-11(21(23)24)9-13(14)17(22)19-15-10-12(6-8-16(15)27-4)28(25,26)20(2)3/h5-10,18H,1-4H3,(H,19,22)
InChIKeyZLOREIYZBKLREV-UHFFFAOYSA-N
XLogP2.15
TPSA130.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.44
LogP ≤ 52.15
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

N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-2-(methylamino)-5-nitrobenzamide
CID 16963347
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-3-nitrobenzamide
CID 7921738
methyl 3-[[5-(dimethylsulfamoyl)-2-methoxyphenyl]carbamoyl]-5-nitrobenzoate
CID 18209003
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-methoxy-5-methylbenzamide
CID 9047184
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-3,4-dimethoxybenzamide
CID 7921753
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-phenylbenzamide
CID 8838647
N-(4-methoxyphenyl)-2-(methylamino)-5-nitrobenzamide
CID 4296283
3-(dimethylsulfamoyl)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]benzamide
CID 55341476
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-4-(methylamino)-3-nitrobenzamide
CID 4802800
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]pyridine-2-carboxamide
CID 4877827
4-[dimethylsulfamoyl(methyl)amino]-N-(2-methoxy-5-nitrophenyl)benzamide
CID 92664189
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-4-fluorobenzamide
CID 7750677

Frequently Asked Questions

What is the IUPAC name of N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-(methylamino)-5-nitrobenzamide?
The IUPAC name of N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-(methylamino)-5-nitrobenzamide (CID 16963244) is N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-(methylamino)-5-nitrobenzamide.
What is the SMILES notation for N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-(methylamino)-5-nitrobenzamide?
The canonical SMILES for N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-(methylamino)-5-nitrobenzamide is CNc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1OC.
What is the InChIKey of N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-(methylamino)-5-nitrobenzamide?
The InChIKey is ZLOREIYZBKLREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O6S/c1-18-14-7-5-11(21(23)24)9-13(14)17(22)19-15-10-12(6-8-16(15)27-4)28(25,26)20(2)3/h5-10,18H,1-4H3,(H,19,22).
What are the key properties of N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-(methylamino)-5-nitrobenzamide?
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-(methylamino)-5-nitrobenzamide has a molecular weight of 408.44 g/mol, XLogP of 2.15, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-(methylamino)-5-nitrobenzamide is sourced from PubChem (CID 16963244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).