N-(2-methoxy-4-nitrophenyl)-4-propan-2-ylbenzenesulfonamide

C16H18N2O5S — CID 22774306

IUPACN-(2-methoxy-4-nitrophenyl)-4-propan-2-ylbenzenesulfonamide
SMILESCOc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C16H18N2O5S/c1-11(2)12-4-7-14(8-5-12)24(21,22)17-15-9-6-13(18(19)20)10-16(15)23-3/h4-11,17H,1-3H3
InChIKeyVDLFBNRGSNVJNO-UHFFFAOYSA-N
MW350.40 g/mol
LogP3.53
Rot. Bonds6

About N-(2-methoxy-4-nitrophenyl)-4-propan-2-ylbenzenesulfonamide

N-(2-methoxy-4-nitrophenyl)-4-propan-2-ylbenzenesulfonamide (PubChem CID 22774306) has the molecular formula C16H18N2O5S and a molecular weight of 350.40 g/mol. Its IUPAC name is N-(2-methoxy-4-nitrophenyl)-4-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-methoxy-4-nitrophenyl)-4-propan-2-ylbenzenesulfonamide
PubChem CID22774306
Molecular FormulaC16H18N2O5S
Molecular Weight350.40 g/mol
Exact Mass350.09
IUPAC NameN-(2-methoxy-4-nitrophenyl)-4-propan-2-ylbenzenesulfonamide
SMILESCOc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C16H18N2O5S/c1-11(2)12-4-7-14(8-5-12)24(21,22)17-15-9-6-13(18(19)20)10-16(15)23-3/h4-11,17H,1-3H3
InChIKeyVDLFBNRGSNVJNO-UHFFFAOYSA-N
XLogP3.53
TPSA98.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 53.53
H-Bond Donors ≤ 51
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'}

Analyze N-(2-methoxy-4-nitrophenyl)-4-propan-2-ylbenzenesulfonamide 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

N-(2-methoxy-4-nitrophenyl)-4-nitrobenzenesulfonamide
CID 3300221
N-(2-methyl-5-nitrophenyl)-4-propan-2-ylbenzenesulfonamide
CID 7938611
4-nitro-2-[(4-propan-2-ylphenyl)sulfonylamino]phenolate
CID 7938828
N-(2-methoxy-4-nitrophenyl)-9,10-dioxoanthracene-2-sulfonamide
CID 3127937
4-(2,3-dimethyl-5-oxo-4-propan-2-ylpyrazol-1-yl)-N-(2-methoxy-4-nitrophenyl)benzenesulfonamide
CID 142750223
N-(2-methoxy-5-nitrophenyl)-4-methylsulfonylbenzenesulfonamide
CID 39392767
N-(2-methoxy-5-nitrophenyl)benzenesulfonamide
CID 798871
N-(4-chloro-2-methoxy-5-methylphenyl)-4-propan-2-ylbenzenesulfonamide
CID 30156649
2-methoxy-5-nitro-N-[1-(4-propan-2-ylphenyl)ethyl]benzenesulfonamide
CID 55434492
4-acetyl-N-(2-methoxy-4-propan-2-ylphenyl)benzenesulfonamide
CID 110777599
2-[(4-chlorophenyl)sulfonylamino]-N-(2-methoxy-4-nitrophenyl)benzamide
CID 18575745
1-ethyl-N-(2-methoxy-4-nitrophenyl)pyrazole-4-sulfonamide
CID 22774330

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-4-nitrophenyl)-4-propan-2-ylbenzenesulfonamide?
The IUPAC name of N-(2-methoxy-4-nitrophenyl)-4-propan-2-ylbenzenesulfonamide (CID 22774306) is N-(2-methoxy-4-nitrophenyl)-4-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for N-(2-methoxy-4-nitrophenyl)-4-propan-2-ylbenzenesulfonamide?
The canonical SMILES for N-(2-methoxy-4-nitrophenyl)-4-propan-2-ylbenzenesulfonamide is COc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1ccc(C(C)C)cc1.
What is the InChIKey of N-(2-methoxy-4-nitrophenyl)-4-propan-2-ylbenzenesulfonamide?
The InChIKey is VDLFBNRGSNVJNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O5S/c1-11(2)12-4-7-14(8-5-12)24(21,22)17-15-9-6-13(18(19)20)10-16(15)23-3/h4-11,17H,1-3H3.
What are the key properties of N-(2-methoxy-4-nitrophenyl)-4-propan-2-ylbenzenesulfonamide?
N-(2-methoxy-4-nitrophenyl)-4-propan-2-ylbenzenesulfonamide has a molecular weight of 350.40 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-4-nitrophenyl)-4-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 22774306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).