2-[(3-nitrophenyl)methylsulfonylamino]-N-propylbenzamide

C17H19N3O5S — CID 28635564

IUPAC2-[(3-nitrophenyl)methylsulfonylamino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccccc1NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C17H19N3O5S/c1-2-10-18-17(21)15-8-3-4-9-16(15)19-26(24,25)12-13-6-5-7-14(11-13)20(22)23/h3-9,11,19H,2,10,12H2,1H3,(H,18,21)
InChIKeyUXEUBVMWTQLLGH-UHFFFAOYSA-N
MW377.42 g/mol
LogP2.68
Rot. Bonds8

About 2-[(3-nitrophenyl)methylsulfonylamino]-N-propylbenzamide

2-[(3-nitrophenyl)methylsulfonylamino]-N-propylbenzamide (PubChem CID 28635564) has the molecular formula C17H19N3O5S and a molecular weight of 377.42 g/mol. Its IUPAC name is 2-[(3-nitrophenyl)methylsulfonylamino]-N-propylbenzamide.

Molecular Properties

Compound Name2-[(3-nitrophenyl)methylsulfonylamino]-N-propylbenzamide
PubChem CID28635564
Molecular FormulaC17H19N3O5S
Molecular Weight377.42 g/mol
Exact Mass377.10
IUPAC Name2-[(3-nitrophenyl)methylsulfonylamino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccccc1NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C17H19N3O5S/c1-2-10-18-17(21)15-8-3-4-9-16(15)19-26(24,25)12-13-6-5-7-14(11-13)20(22)23/h3-9,11,19H,2,10,12H2,1H3,(H,18,21)
InChIKeyUXEUBVMWTQLLGH-UHFFFAOYSA-N
XLogP2.68
TPSA118.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 52.68
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-[(3-nitrophenyl)sulfonylamino]-N-propylbenzamide
CID 2966829
2-[(2-methyl-5-nitrophenyl)sulfonylamino]-N-propylbenzamide
CID 40690037
2-[(4-chlorophenyl)methylsulfonylamino]-N-propylbenzamide
CID 17321566
1-(3-nitrophenyl)-N-[2-(piperidine-1-carbonyl)phenyl]methanesulfonamide
CID 92680035
2-[(2,3-dimethyl-5-nitrophenyl)sulfonylamino]-N-propylbenzamide
CID 24510149
2-[(2-chlorophenyl)methylsulfonylamino]-N-propylbenzamide
CID 17321694
2-chloro-4-nitro-N-[2-(propylcarbamoyl)phenyl]benzamide
CID 8750879
N-(2,4-dimethylphenyl)-1-(3-nitrophenyl)methanesulfonamide
CID 38007901
N-[(3-methoxyphenyl)methyl]-2-[(3-nitrophenyl)sulfonylamino]benzamide
CID 26549411
N-(2-phenylethyl)-2-(propylsulfonylamino)benzamide
CID 2448345
2-(ethylsulfonylamino)-N-(2-methoxyethyl)benzamide
CID 47141588
ethyl 2-[2-[(3-nitrophenyl)methylcarbamoyl]anilino]acetate
CID 139690714

Frequently Asked Questions

What is the IUPAC name of 2-[(3-nitrophenyl)methylsulfonylamino]-N-propylbenzamide?
The IUPAC name of 2-[(3-nitrophenyl)methylsulfonylamino]-N-propylbenzamide (CID 28635564) is 2-[(3-nitrophenyl)methylsulfonylamino]-N-propylbenzamide.
What is the SMILES notation for 2-[(3-nitrophenyl)methylsulfonylamino]-N-propylbenzamide?
The canonical SMILES for 2-[(3-nitrophenyl)methylsulfonylamino]-N-propylbenzamide is CCCNC(=O)c1ccccc1NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1.
What is the InChIKey of 2-[(3-nitrophenyl)methylsulfonylamino]-N-propylbenzamide?
The InChIKey is UXEUBVMWTQLLGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O5S/c1-2-10-18-17(21)15-8-3-4-9-16(15)19-26(24,25)12-13-6-5-7-14(11-13)20(22)23/h3-9,11,19H,2,10,12H2,1H3,(H,18,21).
What are the key properties of 2-[(3-nitrophenyl)methylsulfonylamino]-N-propylbenzamide?
2-[(3-nitrophenyl)methylsulfonylamino]-N-propylbenzamide has a molecular weight of 377.42 g/mol, XLogP of 2.68, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-nitrophenyl)methylsulfonylamino]-N-propylbenzamide is sourced from PubChem (CID 28635564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).