N-(2,5-dimethoxyphenyl)-3-nitrobenzenesulfonamide

C14H14N2O6S — CID 2885763

IUPACN-(2,5-dimethoxyphenyl)-3-nitrobenzenesulfonamide
SMILESCOc1ccc(OC)c(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1
InChIInChI=1S/C14H14N2O6S/c1-21-11-6-7-14(22-2)13(9-11)15-23(19,20)12-5-3-4-10(8-12)16(17)18/h3-9,15H,1-2H3
InChIKeyLVJGQRBHDJBSDJ-UHFFFAOYSA-N
MW338.34 g/mol
LogP2.41
Rot. Bonds6

About N-(2,5-dimethoxyphenyl)-3-nitrobenzenesulfonamide

N-(2,5-dimethoxyphenyl)-3-nitrobenzenesulfonamide (PubChem CID 2885763) has the molecular formula C14H14N2O6S and a molecular weight of 338.34 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-3-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-3-nitrobenzenesulfonamide
PubChem CID2885763
Molecular FormulaC14H14N2O6S
Molecular Weight338.34 g/mol
Exact Mass338.06
IUPAC NameN-(2,5-dimethoxyphenyl)-3-nitrobenzenesulfonamide
SMILESCOc1ccc(OC)c(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1
InChIInChI=1S/C14H14N2O6S/c1-21-11-6-7-14(22-2)13(9-11)15-23(19,20)12-5-3-4-10(8-12)16(17)18/h3-9,15H,1-2H3
InChIKeyLVJGQRBHDJBSDJ-UHFFFAOYSA-N
XLogP2.41
TPSA107.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.34
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-(2,5-dimethoxyphenyl)-3-nitrobenzenesulfonamide 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-methoxyphenyl)-3-nitrobenzenesulfonamide
CID 2834884
N,N-diethyl-4-methoxy-3-[(3-nitrophenyl)sulfonylamino]benzenesulfonamide
CID 2952239
N-(2,5-dimethoxyphenyl)-2-methoxy-5-nitrobenzenesulfonamide
CID 8822749
N-(2-methoxy-5-nitrophenyl)benzenesulfonamide
CID 798871
3-cyano-N-(2-methoxy-5-nitrophenyl)benzenesulfonamide
CID 7938488
N-[1-(2,5-dimethoxyphenyl)ethyl]-3-nitrobenzenesulfonamide
CID 22206255
N-(2,5-dimethoxyphenyl)naphthalene-2-sulfonamide
CID 823335
N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-2-methyl-5-nitrobenzenesulfonamide
CID 21367365
N-(2-methoxy-5-nitrophenyl)-4-methylsulfonylbenzenesulfonamide
CID 39392767
[(2S)-1-(2,4-dimethoxyphenyl)-1-oxopropan-2-yl] 3-[(2-methoxy-5-nitrophenyl)sulfamoyl]benzoate
CID 2481912
N-(2,5-dimethoxyphenyl)-3,5-dimethoxybenzenesulfonamide
CID 24989180
2-methoxy-N-[2-[(3-nitrophenyl)sulfonylamino]phenyl]-5-(trifluoromethylsulfonyl)benzenesulfonamide
CID 68948180

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-3-nitrobenzenesulfonamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-3-nitrobenzenesulfonamide (CID 2885763) is N-(2,5-dimethoxyphenyl)-3-nitrobenzenesulfonamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-3-nitrobenzenesulfonamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-3-nitrobenzenesulfonamide is COc1ccc(OC)c(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-3-nitrobenzenesulfonamide?
The InChIKey is LVJGQRBHDJBSDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O6S/c1-21-11-6-7-14(22-2)13(9-11)15-23(19,20)12-5-3-4-10(8-12)16(17)18/h3-9,15H,1-2H3.
What are the key properties of N-(2,5-dimethoxyphenyl)-3-nitrobenzenesulfonamide?
N-(2,5-dimethoxyphenyl)-3-nitrobenzenesulfonamide has a molecular weight of 338.34 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-3-nitrobenzenesulfonamide is sourced from PubChem (CID 2885763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).