4-methoxy-3-(methylsulfamoyl)-N-(3-nitrophenyl)benzamide

C15H15N3O6S — CID 40742222

IUPAC4-methoxy-3-(methylsulfamoyl)-N-(3-nitrophenyl)benzamide
SMILESCNS(=O)(=O)c1cc(C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OC
InChIInChI=1S/C15H15N3O6S/c1-16-25(22,23)14-8-10(6-7-13(14)24-2)15(19)17-11-4-3-5-12(9-11)18(20)21/h3-9,16H,1-2H3,(H,17,19)
InChIKeyHBTBNGXCURLGJR-UHFFFAOYSA-N
MW365.37 g/mol
LogP1.76
Rot. Bonds6

About 4-methoxy-3-(methylsulfamoyl)-N-(3-nitrophenyl)benzamide

4-methoxy-3-(methylsulfamoyl)-N-(3-nitrophenyl)benzamide (PubChem CID 40742222) has the molecular formula C15H15N3O6S and a molecular weight of 365.37 g/mol. Its IUPAC name is 4-methoxy-3-(methylsulfamoyl)-N-(3-nitrophenyl)benzamide.

Molecular Properties

Compound Name4-methoxy-3-(methylsulfamoyl)-N-(3-nitrophenyl)benzamide
PubChem CID40742222
Molecular FormulaC15H15N3O6S
Molecular Weight365.37 g/mol
Exact Mass365.07
IUPAC Name4-methoxy-3-(methylsulfamoyl)-N-(3-nitrophenyl)benzamide
SMILESCNS(=O)(=O)c1cc(C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OC
InChIInChI=1S/C15H15N3O6S/c1-16-25(22,23)14-8-10(6-7-13(14)24-2)15(19)17-11-4-3-5-12(9-11)18(20)21/h3-9,16H,1-2H3,(H,17,19)
InChIKeyHBTBNGXCURLGJR-UHFFFAOYSA-N
XLogP1.76
TPSA127.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.37
LogP ≤ 51.76
H-Bond Donors ≤ 52
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-(3-bromophenyl)-4-methoxy-3-(methylsulfamoyl)benzamide
CID 40742194
4-(methylsulfamoyl)-N-(3-nitrophenyl)benzamide
CID 29200413
N-(3-ethynylphenyl)-4-methoxy-3-(methylsulfamoyl)benzamide
CID 18147880
4-methoxy-3-(methylsulfamoyl)-N-pyridin-4-ylbenzamide
CID 27700507
N-(3,4-dimethoxyphenyl)-3-nitrobenzamide
CID 822743
N-(3-amino-4-methoxyphenyl)-3-nitrobenzamide
CID 43599838
2-methoxy-5-[[(3-nitrobenzoyl)amino]carbamoyl]-N-propan-2-ylbenzenesulfonamide
CID 27663032
N-(4-methoxy-3-nitrophenyl)-3-nitrobenzamide
CID 2307230
N-(3-chloro-4-methylphenyl)-4-methoxy-3-(methylsulfamoyl)benzamide
CID 40742199
4-(tert-butylsulfamoyl)-N-(3-nitrophenyl)benzamide
CID 34682520
3-(tert-butylsulfamoyl)-N-(3-chlorophenyl)-4-methoxybenzamide
CID 26578598
N-(3-chlorophenyl)-4-methoxy-3-(propylsulfamoyl)benzamide
CID 18892378

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-(methylsulfamoyl)-N-(3-nitrophenyl)benzamide?
The IUPAC name of 4-methoxy-3-(methylsulfamoyl)-N-(3-nitrophenyl)benzamide (CID 40742222) is 4-methoxy-3-(methylsulfamoyl)-N-(3-nitrophenyl)benzamide.
What is the SMILES notation for 4-methoxy-3-(methylsulfamoyl)-N-(3-nitrophenyl)benzamide?
The canonical SMILES for 4-methoxy-3-(methylsulfamoyl)-N-(3-nitrophenyl)benzamide is CNS(=O)(=O)c1cc(C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OC.
What is the InChIKey of 4-methoxy-3-(methylsulfamoyl)-N-(3-nitrophenyl)benzamide?
The InChIKey is HBTBNGXCURLGJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O6S/c1-16-25(22,23)14-8-10(6-7-13(14)24-2)15(19)17-11-4-3-5-12(9-11)18(20)21/h3-9,16H,1-2H3,(H,17,19).
What are the key properties of 4-methoxy-3-(methylsulfamoyl)-N-(3-nitrophenyl)benzamide?
4-methoxy-3-(methylsulfamoyl)-N-(3-nitrophenyl)benzamide has a molecular weight of 365.37 g/mol, XLogP of 1.76, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-(methylsulfamoyl)-N-(3-nitrophenyl)benzamide is sourced from PubChem (CID 40742222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).