N-(3-methoxyphenyl)-2,4-dinitrobenzenesulfonamide

C13H11N3O7S — CID 26952272

IUPACN-(3-methoxyphenyl)-2,4-dinitrobenzenesulfonamide
SMILESCOc1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1
InChIInChI=1S/C13H11N3O7S/c1-23-11-4-2-3-9(7-11)14-24(21,22)13-6-5-10(15(17)18)8-12(13)16(19)20/h2-8,14H,1H3
InChIKeyWAKLZVXTTRAZRE-UHFFFAOYSA-N
MW353.31 g/mol
LogP2.31
Rot. Bonds6

About N-(3-methoxyphenyl)-2,4-dinitrobenzenesulfonamide

N-(3-methoxyphenyl)-2,4-dinitrobenzenesulfonamide (PubChem CID 26952272) has the molecular formula C13H11N3O7S and a molecular weight of 353.31 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-2,4-dinitrobenzenesulfonamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-2,4-dinitrobenzenesulfonamide
PubChem CID26952272
Molecular FormulaC13H11N3O7S
Molecular Weight353.31 g/mol
Exact Mass353.03
IUPAC NameN-(3-methoxyphenyl)-2,4-dinitrobenzenesulfonamide
SMILESCOc1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1
InChIInChI=1S/C13H11N3O7S/c1-23-11-4-2-3-9(7-11)14-24(21,22)13-6-5-10(15(17)18)8-12(13)16(19)20/h2-8,14H,1H3
InChIKeyWAKLZVXTTRAZRE-UHFFFAOYSA-N
XLogP2.31
TPSA141.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.31
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-(3-methoxyphenyl)-2,4-dinitrobenzenesulfonamide 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-amino-N-(3-methoxyphenyl)benzenesulfonamide
CID 16795336
N-(2-methoxy-5-nitrophenyl)benzenesulfonamide
CID 798871
Disulfide, bis(4-methoxy-2-nitrophenyl)
CID 84395
N-(2-methoxyphenyl)-4-nitrobenzenesulfonamide
CID 835338
2-Amino-4-methoxybenzene-1-sulfonamide
CID 12525394
4-methoxy-N-(2-methoxy-5-nitrophenyl)benzenesulfonamide
CID 1492
4-amino-N-(3-amino-5-methoxyphenyl)benzenesulfonamide
CID 44398555
[3-[[2-Nitro-4-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]boronic acid
CID 52939995
N-(4-methoxyphenyl)-2,4-dinitro-benzenesulfonamide
CID 26952364
N-(4-methoxyphenyl)-4-nitrobenzenesulfonamide
CID 750280
4-Methoxy-2-nitrobenzenesulphonyl chloride
CID 87452
N-(3-methoxyphenyl)-2,4-dinitro-N-prop-2-ynylbenzenesulfonamide
CID 122181434

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-2,4-dinitrobenzenesulfonamide?
The IUPAC name of N-(3-methoxyphenyl)-2,4-dinitrobenzenesulfonamide (CID 26952272) is N-(3-methoxyphenyl)-2,4-dinitrobenzenesulfonamide.
What is the SMILES notation for N-(3-methoxyphenyl)-2,4-dinitrobenzenesulfonamide?
The canonical SMILES for N-(3-methoxyphenyl)-2,4-dinitrobenzenesulfonamide is COc1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1.
What is the InChIKey of N-(3-methoxyphenyl)-2,4-dinitrobenzenesulfonamide?
The InChIKey is WAKLZVXTTRAZRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O7S/c1-23-11-4-2-3-9(7-11)14-24(21,22)13-6-5-10(15(17)18)8-12(13)16(19)20/h2-8,14H,1H3.
What are the key properties of N-(3-methoxyphenyl)-2,4-dinitrobenzenesulfonamide?
N-(3-methoxyphenyl)-2,4-dinitrobenzenesulfonamide has a molecular weight of 353.31 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-2,4-dinitrobenzenesulfonamide is sourced from PubChem (CID 26952272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).