5-(ethylsulfamoyl)-2-methyl-N-(3-nitrophenyl)benzamide

C16H17N3O5S — CID 26561827

IUPAC5-(ethylsulfamoyl)-2-methyl-N-(3-nitrophenyl)benzamide
SMILESCCNS(=O)(=O)c1ccc(C)c(C(=O)Nc2cccc([N+](=O)[O-])c2)c1
InChIInChI=1S/C16H17N3O5S/c1-3-17-25(23,24)14-8-7-11(2)15(10-14)16(20)18-12-5-4-6-13(9-12)19(21)22/h4-10,17H,3H2,1-2H3,(H,18,20)
InChIKeyPBTCCJSENWAYGL-UHFFFAOYSA-N
MW363.40 g/mol
LogP2.45
Rot. Bonds6

About 5-(ethylsulfamoyl)-2-methyl-N-(3-nitrophenyl)benzamide

5-(ethylsulfamoyl)-2-methyl-N-(3-nitrophenyl)benzamide (PubChem CID 26561827) has the molecular formula C16H17N3O5S and a molecular weight of 363.40 g/mol. Its IUPAC name is 5-(ethylsulfamoyl)-2-methyl-N-(3-nitrophenyl)benzamide.

Molecular Properties

Compound Name5-(ethylsulfamoyl)-2-methyl-N-(3-nitrophenyl)benzamide
PubChem CID26561827
Molecular FormulaC16H17N3O5S
Molecular Weight363.40 g/mol
Exact Mass363.09
IUPAC Name5-(ethylsulfamoyl)-2-methyl-N-(3-nitrophenyl)benzamide
SMILESCCNS(=O)(=O)c1ccc(C)c(C(=O)Nc2cccc([N+](=O)[O-])c2)c1
InChIInChI=1S/C16H17N3O5S/c1-3-17-25(23,24)14-8-7-11(2)15(10-14)16(20)18-12-5-4-6-13(9-12)19(21)22/h4-10,17H,3H2,1-2H3,(H,18,20)
InChIKeyPBTCCJSENWAYGL-UHFFFAOYSA-N
XLogP2.45
TPSA118.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.40
LogP ≤ 52.45
H-Bond Donors ≤ 52
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

N-[(3-acetamidophenyl)methyl]-5-(ethylsulfamoyl)-2-methylbenzamide
CID 39573261
2-chloro-N-(3-nitrophenyl)-5-[(3-nitrophenyl)sulfamoyl]benzamide
CID 3092265
5-(ethylsulfamoyl)-N,2-dimethylbenzamide
CID 6461284
N-[3-(butylsulfamoyl)phenyl]-2-(dimethylamino)-5-nitrobenzamide
CID 36672196
5-(ethylsulfamoyl)-2-methyl-N-(1H-pyrazol-4-yl)benzamide
CID 46412123
4-(methylsulfamoyl)-N-(3-nitrophenyl)benzamide
CID 29200413
N-[3-(1,3-benzothiazol-2-yl)phenyl]-5-(ethylsulfamoyl)-2-methylbenzamide
CID 35613501
N-(2-chlorophenyl)-5-(ethylsulfamoyl)-2-methylbenzamide
CID 35345609
2-methyl-N-(3-methylphenyl)-5-(methylsulfamoyl)benzamide
CID 51297733
2,5-dimethyl-N-(3-nitrophenyl)thiophene-3-carboxamide
CID 16960210
N-(5-chloro-2-methylphenyl)-5-(ethylsulfamoyl)-2-methylbenzamide
CID 43007142
5-(ethylsulfamoyl)-2-methyl-N-(3-methyl-2-pyridinyl)benzamide
CID 35033520

Frequently Asked Questions

What is the IUPAC name of 5-(ethylsulfamoyl)-2-methyl-N-(3-nitrophenyl)benzamide?
The IUPAC name of 5-(ethylsulfamoyl)-2-methyl-N-(3-nitrophenyl)benzamide (CID 26561827) is 5-(ethylsulfamoyl)-2-methyl-N-(3-nitrophenyl)benzamide.
What is the SMILES notation for 5-(ethylsulfamoyl)-2-methyl-N-(3-nitrophenyl)benzamide?
The canonical SMILES for 5-(ethylsulfamoyl)-2-methyl-N-(3-nitrophenyl)benzamide is CCNS(=O)(=O)c1ccc(C)c(C(=O)Nc2cccc([N+](=O)[O-])c2)c1.
What is the InChIKey of 5-(ethylsulfamoyl)-2-methyl-N-(3-nitrophenyl)benzamide?
The InChIKey is PBTCCJSENWAYGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O5S/c1-3-17-25(23,24)14-8-7-11(2)15(10-14)16(20)18-12-5-4-6-13(9-12)19(21)22/h4-10,17H,3H2,1-2H3,(H,18,20).
What are the key properties of 5-(ethylsulfamoyl)-2-methyl-N-(3-nitrophenyl)benzamide?
5-(ethylsulfamoyl)-2-methyl-N-(3-nitrophenyl)benzamide has a molecular weight of 363.40 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylsulfamoyl)-2-methyl-N-(3-nitrophenyl)benzamide is sourced from PubChem (CID 26561827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).