N-(4-methoxy-2-nitrophenyl)-N,4-dimethylbenzenesulfonamide

C15H16N2O5S — CID 2905111

IUPACN-(4-methoxy-2-nitrophenyl)-N,4-dimethylbenzenesulfonamide
SMILESCOc1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)c([N+](=O)[O-])c1
InChIInChI=1S/C15H16N2O5S/c1-11-4-7-13(8-5-11)23(20,21)16(2)14-9-6-12(22-3)10-15(14)17(18)19/h4-10H,1-3H3
InChIKeyJPNHPZVHJUEYEX-UHFFFAOYSA-N
MW336.37 g/mol
LogP2.74
Rot. Bonds5

About N-(4-methoxy-2-nitrophenyl)-N,4-dimethylbenzenesulfonamide

N-(4-methoxy-2-nitrophenyl)-N,4-dimethylbenzenesulfonamide (PubChem CID 2905111) has the molecular formula C15H16N2O5S and a molecular weight of 336.37 g/mol. Its IUPAC name is N-(4-methoxy-2-nitrophenyl)-N,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-methoxy-2-nitrophenyl)-N,4-dimethylbenzenesulfonamide
PubChem CID2905111
Molecular FormulaC15H16N2O5S
Molecular Weight336.37 g/mol
Exact Mass336.08
IUPAC NameN-(4-methoxy-2-nitrophenyl)-N,4-dimethylbenzenesulfonamide
SMILESCOc1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)c([N+](=O)[O-])c1
InChIInChI=1S/C15H16N2O5S/c1-11-4-7-13(8-5-11)23(20,21)16(2)14-9-6-12(22-3)10-15(14)17(18)19/h4-10H,1-3H3
InChIKeyJPNHPZVHJUEYEX-UHFFFAOYSA-N
XLogP2.74
TPSA89.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 52.74
H-Bond Donors ≤ 50
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-(4-methoxy-2-nitrophenyl)-N,4-dimethylbenzenesulfonamide 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-(4-Methoxy-2-nitrophenyl)-4-methylbenzenesulfonamide
CID 225676
1-(4-Methoxy-2-nitrophenyl)-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine
CID 2974685
N~1~-(4-methoxy-2-nitrophenyl)-N~2~-methyl-N~2~-[(4-methylphenyl)sulfonyl]glycinamide
CID 2952982
2-[benzenesulfonyl(methyl)amino]-N-(4-methoxy-2-nitrophenyl)acetamide
CID 2964889
N-methyl-N-[4-[(4-nitrophenyl)methoxy]phenyl]benzenesulfonamide
CID 4540064
N-(4-methoxy-2-nitrophenyl)-3,5-bis(trifluoromethyl)benzenesulfonamide
CID 2797179
N-(4-methoxy-2-nitrophenyl)-2,4,6-trimethylbenzenesulfonamide
CID 2843223
N-(4-ethoxy-2-nitrophenyl)-4-methylbenzenesulfonamide
CID 2851114
Cambridge id 5988623
CID 2879851
1-(4-Methoxyphenyl)-4-[(4-methyl-3-nitrophenyl)sulfonyl]piperazine
CID 2914778
N-(4-methoxy-2-nitrophenyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 3949493
N-(4-ethoxy-2-nitrophenyl)-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide
CID 4193057

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-2-nitrophenyl)-N,4-dimethylbenzenesulfonamide?
The IUPAC name of N-(4-methoxy-2-nitrophenyl)-N,4-dimethylbenzenesulfonamide (CID 2905111) is N-(4-methoxy-2-nitrophenyl)-N,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(4-methoxy-2-nitrophenyl)-N,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-(4-methoxy-2-nitrophenyl)-N,4-dimethylbenzenesulfonamide is COc1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)c([N+](=O)[O-])c1.
What is the InChIKey of N-(4-methoxy-2-nitrophenyl)-N,4-dimethylbenzenesulfonamide?
The InChIKey is JPNHPZVHJUEYEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O5S/c1-11-4-7-13(8-5-11)23(20,21)16(2)14-9-6-12(22-3)10-15(14)17(18)19/h4-10H,1-3H3.
What are the key properties of N-(4-methoxy-2-nitrophenyl)-N,4-dimethylbenzenesulfonamide?
N-(4-methoxy-2-nitrophenyl)-N,4-dimethylbenzenesulfonamide has a molecular weight of 336.37 g/mol, XLogP of 2.74, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-2-nitrophenyl)-N,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 2905111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).