5-nitro-N-phenyl-2-propylbenzenesulfonamide

C15H16N2O4S — CID 71431777

IUPAC5-nitro-N-phenyl-2-propylbenzenesulfonamide
SMILESCCCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1
InChIInChI=1S/C15H16N2O4S/c1-2-6-12-9-10-14(17(18)19)11-15(12)22(20,21)16-13-7-4-3-5-8-13/h3-5,7-11,16H,2,6H2,1H3
InChIKeyLOWZMFUOVQXDHM-UHFFFAOYSA-N
MW320.37 g/mol
LogP3.35
Rot. Bonds6

About 5-nitro-N-phenyl-2-propylbenzenesulfonamide

5-nitro-N-phenyl-2-propylbenzenesulfonamide (PubChem CID 71431777) has the molecular formula C15H16N2O4S and a molecular weight of 320.37 g/mol. Its IUPAC name is 5-nitro-N-phenyl-2-propylbenzenesulfonamide.

Molecular Properties

Compound Name5-nitro-N-phenyl-2-propylbenzenesulfonamide
PubChem CID71431777
Molecular FormulaC15H16N2O4S
Molecular Weight320.37 g/mol
Exact Mass320.08
IUPAC Name5-nitro-N-phenyl-2-propylbenzenesulfonamide
SMILESCCCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1
InChIInChI=1S/C15H16N2O4S/c1-2-6-12-9-10-14(17(18)19)11-15(12)22(20,21)16-13-7-4-3-5-8-13/h3-5,7-11,16H,2,6H2,1H3
InChIKeyLOWZMFUOVQXDHM-UHFFFAOYSA-N
XLogP3.35
TPSA89.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-nitro-N-phenyl-2-propylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-nitro-N-phenyl-2-propylaniline
CID 20559831
2-methyl-5-nitro-N-[4-(phenylsulfamoyl)phenyl]benzenesulfonamide
CID 21173747
(4-nitro-2-propylphenyl)methanamine
CID 152751762
N-(4-iodophenyl)-2-methyl-5-nitrobenzenesulfonamide
CID 2920673
2-chloro-5-nitro-N-(4-nitrophenyl)benzenesulfonamide
CID 7559501
4-nitro-2-propylaniline
CID 21492038
2-[(2-ethyl-5-nitrophenyl)sulfonylamino]-2-phenylacetamide
CID 86854819
2-(4-nitro-2-propylphenyl)ethanamine
CID 152751761
N-(4-hexoxyphenyl)-2,5-dinitrobenzenesulfonamide
CID 91704313
N-(4-fluorophenyl)-2-methyl-5-nitrobenzenesulfonamide
CID 2796540
1-(2-hydroxy-5-nitrophenyl)-N-phenylmethanesulfonamide
CID 57323610
2-chloro-N-(4-methylphenyl)-5-nitrobenzenesulfonamide
CID 2844050

Frequently Asked Questions

What is the IUPAC name of 5-nitro-N-phenyl-2-propylbenzenesulfonamide?
The IUPAC name of 5-nitro-N-phenyl-2-propylbenzenesulfonamide (CID 71431777) is 5-nitro-N-phenyl-2-propylbenzenesulfonamide.
What is the SMILES notation for 5-nitro-N-phenyl-2-propylbenzenesulfonamide?
The canonical SMILES for 5-nitro-N-phenyl-2-propylbenzenesulfonamide is CCCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1.
What is the InChIKey of 5-nitro-N-phenyl-2-propylbenzenesulfonamide?
The InChIKey is LOWZMFUOVQXDHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4S/c1-2-6-12-9-10-14(17(18)19)11-15(12)22(20,21)16-13-7-4-3-5-8-13/h3-5,7-11,16H,2,6H2,1H3.
What are the key properties of 5-nitro-N-phenyl-2-propylbenzenesulfonamide?
5-nitro-N-phenyl-2-propylbenzenesulfonamide has a molecular weight of 320.37 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-N-phenyl-2-propylbenzenesulfonamide is sourced from PubChem (CID 71431777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).