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

C16H17N3O5S — CID 26796668

IUPAC3-(ethylsulfamoyl)-N-(2-methyl-3-nitrophenyl)benzamide
SMILESCCNS(=O)(=O)c1cccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)c1
InChIInChI=1S/C16H17N3O5S/c1-3-17-25(23,24)13-7-4-6-12(10-13)16(20)18-14-8-5-9-15(11(14)2)19(21)22/h4-10,17H,3H2,1-2H3,(H,18,20)
InChIKeyKKBABXNATJKTHZ-UHFFFAOYSA-N
MW363.40 g/mol
LogP2.45
Rot. Bonds6

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

3-(ethylsulfamoyl)-N-(2-methyl-3-nitrophenyl)benzamide (PubChem CID 26796668) has the molecular formula C16H17N3O5S and a molecular weight of 363.40 g/mol. Its IUPAC name is 3-(ethylsulfamoyl)-N-(2-methyl-3-nitrophenyl)benzamide.

Molecular Properties

Compound Name3-(ethylsulfamoyl)-N-(2-methyl-3-nitrophenyl)benzamide
PubChem CID26796668
Molecular FormulaC16H17N3O5S
Molecular Weight363.40 g/mol
Exact Mass363.09
IUPAC Name3-(ethylsulfamoyl)-N-(2-methyl-3-nitrophenyl)benzamide
SMILESCCNS(=O)(=O)c1cccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)c1
InChIInChI=1S/C16H17N3O5S/c1-3-17-25(23,24)13-7-4-6-12(10-13)16(20)18-14-8-5-9-15(11(14)2)19(21)22/h4-10,17H,3H2,1-2H3,(H,18,20)
InChIKeyKKBABXNATJKTHZ-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

3-[methoxy(methyl)sulfamoyl]-N-(2-methyl-3-nitrophenyl)benzamide
CID 9270787
N-(2-methyl-3-nitrophenyl)-4-(prop-2-enylsulfamoyl)benzamide
CID 26796676
N-(2-chlorophenyl)-3-(ethylsulfamoyl)benzamide
CID 26574954
3-chloro-N-(2-methyl-3-nitrophenyl)benzamide
CID 4111070
N-(2,4-dimethylphenyl)-3-(ethylsulfamoyl)benzamide
CID 26538648
N-(2-methyl-3-nitrophenyl)-2-oxo-1H-pyridine-4-carboxamide
CID 103763240
3-(ethylsulfamoyl)-N-(2-fluoro-4-methylphenyl)benzamide
CID 26698365
3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-methyl-3-nitrophenyl)benzamide
CID 26796768
N-(2-methyl-3-nitrophenyl)-3-propan-2-yloxybenzamide
CID 17142403
3-[(2,3-dimethylphenyl)sulfamoyl]-4-methyl-N-(2-methyl-3-nitrophenyl)benzamide
CID 1250809
3-(ethylsulfamoyl)-N-(3-iodophenyl)benzamide
CID 31528390
3-[(2,5-dimethylphenyl)sulfonylamino]-N-(2-methyl-3-nitrophenyl)benzamide
CID 30694649

Frequently Asked Questions

What is the IUPAC name of 3-(ethylsulfamoyl)-N-(2-methyl-3-nitrophenyl)benzamide?
The IUPAC name of 3-(ethylsulfamoyl)-N-(2-methyl-3-nitrophenyl)benzamide (CID 26796668) is 3-(ethylsulfamoyl)-N-(2-methyl-3-nitrophenyl)benzamide.
What is the SMILES notation for 3-(ethylsulfamoyl)-N-(2-methyl-3-nitrophenyl)benzamide?
The canonical SMILES for 3-(ethylsulfamoyl)-N-(2-methyl-3-nitrophenyl)benzamide is CCNS(=O)(=O)c1cccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)c1.
What is the InChIKey of 3-(ethylsulfamoyl)-N-(2-methyl-3-nitrophenyl)benzamide?
The InChIKey is KKBABXNATJKTHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O5S/c1-3-17-25(23,24)13-7-4-6-12(10-13)16(20)18-14-8-5-9-15(11(14)2)19(21)22/h4-10,17H,3H2,1-2H3,(H,18,20).
What are the key properties of 3-(ethylsulfamoyl)-N-(2-methyl-3-nitrophenyl)benzamide?
3-(ethylsulfamoyl)-N-(2-methyl-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 3-(ethylsulfamoyl)-N-(2-methyl-3-nitrophenyl)benzamide is sourced from PubChem (CID 26796668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).