2-[(2-methyl-5-nitrophenyl)sulfonylamino]-N-propylbenzamide

C17H19N3O5S — CID 40690037

IUPAC2-[(2-methyl-5-nitrophenyl)sulfonylamino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C
InChIInChI=1S/C17H19N3O5S/c1-3-10-18-17(21)14-6-4-5-7-15(14)19-26(24,25)16-11-13(20(22)23)9-8-12(16)2/h4-9,11,19H,3,10H2,1-2H3,(H,18,21)
InChIKeyQTIUNJGJIUFCPY-UHFFFAOYSA-N
MW377.42 g/mol
LogP2.84
Rot. Bonds7

About 2-[(2-methyl-5-nitrophenyl)sulfonylamino]-N-propylbenzamide

2-[(2-methyl-5-nitrophenyl)sulfonylamino]-N-propylbenzamide (PubChem CID 40690037) has the molecular formula C17H19N3O5S and a molecular weight of 377.42 g/mol. Its IUPAC name is 2-[(2-methyl-5-nitrophenyl)sulfonylamino]-N-propylbenzamide.

Molecular Properties

Compound Name2-[(2-methyl-5-nitrophenyl)sulfonylamino]-N-propylbenzamide
PubChem CID40690037
Molecular FormulaC17H19N3O5S
Molecular Weight377.42 g/mol
Exact Mass377.10
IUPAC Name2-[(2-methyl-5-nitrophenyl)sulfonylamino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C
InChIInChI=1S/C17H19N3O5S/c1-3-10-18-17(21)14-6-4-5-7-15(14)19-26(24,25)16-11-13(20(22)23)9-8-12(16)2/h4-9,11,19H,3,10H2,1-2H3,(H,18,21)
InChIKeyQTIUNJGJIUFCPY-UHFFFAOYSA-N
XLogP2.84
TPSA118.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 52.84
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

2-[(2,3-dimethyl-5-nitrophenyl)sulfonylamino]-N-propylbenzamide
CID 24510149
2-[(3-nitrophenyl)sulfonylamino]-N-propylbenzamide
CID 2966829
N-(2-fluorophenyl)-2-methyl-5-nitrobenzenesulfonamide
CID 7107842
2-[(3-nitrophenyl)methylsulfonylamino]-N-propylbenzamide
CID 28635564
3,4-dimethyl-5-[[2-(propylcarbamoyl)phenyl]sulfamoyl]benzoate
CID 7516664
phenacyl 2-[(2-methyl-5-nitrophenyl)sulfonylamino]benzoate
CID 3311794
2-[(2,3-dimethyl-5-nitrophenyl)sulfonylamino]-N-prop-2-enylbenzamide
CID 40687985
N-(2-aminophenyl)-2-methyl-5-nitrobenzenesulfonamide
CID 43605579
N-(2-iodophenyl)-2-methyl-5-nitrobenzenesulfonamide
CID 2944627
1,1-dimethyl-3-[2-[(2-methyl-5-nitrophenyl)sulfonylamino]phenyl]urea
CID 55811259
2-[(2-methoxy-5-nitrophenyl)sulfonylamino]-N-[(4-methylphenyl)methyl]benzamide
CID 24502128
2-[(2,5-dimethylphenyl)sulfonylamino]-N-(2-methoxyethyl)benzamide
CID 35990783

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-5-nitrophenyl)sulfonylamino]-N-propylbenzamide?
The IUPAC name of 2-[(2-methyl-5-nitrophenyl)sulfonylamino]-N-propylbenzamide (CID 40690037) is 2-[(2-methyl-5-nitrophenyl)sulfonylamino]-N-propylbenzamide.
What is the SMILES notation for 2-[(2-methyl-5-nitrophenyl)sulfonylamino]-N-propylbenzamide?
The canonical SMILES for 2-[(2-methyl-5-nitrophenyl)sulfonylamino]-N-propylbenzamide is CCCNC(=O)c1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C.
What is the InChIKey of 2-[(2-methyl-5-nitrophenyl)sulfonylamino]-N-propylbenzamide?
The InChIKey is QTIUNJGJIUFCPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O5S/c1-3-10-18-17(21)14-6-4-5-7-15(14)19-26(24,25)16-11-13(20(22)23)9-8-12(16)2/h4-9,11,19H,3,10H2,1-2H3,(H,18,21).
What are the key properties of 2-[(2-methyl-5-nitrophenyl)sulfonylamino]-N-propylbenzamide?
2-[(2-methyl-5-nitrophenyl)sulfonylamino]-N-propylbenzamide has a molecular weight of 377.42 g/mol, XLogP of 2.84, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-5-nitrophenyl)sulfonylamino]-N-propylbenzamide is sourced from PubChem (CID 40690037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).