N,2-dimethyl-6-nitrobenzenesulfonamide

C8H10N2O4S — CID 43446418

IUPACN,2-dimethyl-6-nitrobenzenesulfonamide
SMILESCNS(=O)(=O)c1c(C)cccc1[N+](=O)[O-]
InChIInChI=1S/C8H10N2O4S/c1-6-4-3-5-7(10(11)12)8(6)15(13,14)9-2/h3-5,9H,1-2H3
InChIKeyUFJJCHUOKLCVJN-UHFFFAOYSA-N
MW230.25 g/mol
LogP0.81
Rot. Bonds3

About N,2-dimethyl-6-nitrobenzenesulfonamide

N,2-dimethyl-6-nitrobenzenesulfonamide (PubChem CID 43446418) has the molecular formula C8H10N2O4S and a molecular weight of 230.25 g/mol. Its IUPAC name is N,2-dimethyl-6-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN,2-dimethyl-6-nitrobenzenesulfonamide
PubChem CID43446418
Molecular FormulaC8H10N2O4S
Molecular Weight230.25 g/mol
Exact Mass230.04
IUPAC NameN,2-dimethyl-6-nitrobenzenesulfonamide
SMILESCNS(=O)(=O)c1c(C)cccc1[N+](=O)[O-]
InChIInChI=1S/C8H10N2O4S/c1-6-4-3-5-7(10(11)12)8(6)15(13,14)9-2/h3-5,9H,1-2H3
InChIKeyUFJJCHUOKLCVJN-UHFFFAOYSA-N
XLogP0.81
TPSA89.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.25
LogP ≤ 50.81
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 N,2-dimethyl-6-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

2-methyl-N-[(2S)-3-methylbutan-2-yl]-6-nitrobenzenesulfonamide
CID 51946487
N-cyclopentyl-2-methyl-6-nitrobenzenesulfonamide
CID 47315253
N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2-methyl-6-nitrobenzenesulfonamide
CID 103895100
2-methyl-6-nitrobenzenesulfonic acid;hydrochloride
CID 88828256
2-methyl-N-[2-methyl-3-(methylamino)propyl]-6-nitrobenzenesulfonamide
CID 115302908
N-(2-aminophenyl)-2-methyl-6-nitrobenzenesulfonamide
CID 43605528
N-(1-cyanoethyl)-2-methyl-6-nitrobenzenesulfonamide
CID 61123240
2-methyl-6-nitro-N-pentylbenzenesulfonamide
CID 47034876
N-(2,2-dimethoxyethyl)-2-methyl-6-nitrobenzenesulfonamide
CID 62969091
N-(4-aminobutyl)-2-methyl-6-nitrobenzenesulfonamide
CID 60895053
N-(3-aminopropyl)-2-methyl-6-nitrobenzenesulfonamide;hydrochloride
CID 119962275
2-methyl-6-nitro-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 52698717

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-6-nitrobenzenesulfonamide?
The IUPAC name of N,2-dimethyl-6-nitrobenzenesulfonamide (CID 43446418) is N,2-dimethyl-6-nitrobenzenesulfonamide.
What is the SMILES notation for N,2-dimethyl-6-nitrobenzenesulfonamide?
The canonical SMILES for N,2-dimethyl-6-nitrobenzenesulfonamide is CNS(=O)(=O)c1c(C)cccc1[N+](=O)[O-].
What is the InChIKey of N,2-dimethyl-6-nitrobenzenesulfonamide?
The InChIKey is UFJJCHUOKLCVJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O4S/c1-6-4-3-5-7(10(11)12)8(6)15(13,14)9-2/h3-5,9H,1-2H3.
What are the key properties of N,2-dimethyl-6-nitrobenzenesulfonamide?
N,2-dimethyl-6-nitrobenzenesulfonamide has a molecular weight of 230.25 g/mol, XLogP of 0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-6-nitrobenzenesulfonamide is sourced from PubChem (CID 43446418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).