N-(2-aminophenyl)-2-methyl-6-nitrobenzenesulfonamide

C13H13N3O4S — CID 43605528

IUPACN-(2-aminophenyl)-2-methyl-6-nitrobenzenesulfonamide
SMILESCc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1ccccc1N
InChIInChI=1S/C13H13N3O4S/c1-9-5-4-8-12(16(17)18)13(9)21(19,20)15-11-7-3-2-6-10(11)14/h2-8,15H,14H2,1H3
InChIKeyKVIIWWZNMLLVLM-UHFFFAOYSA-N
MW307.33 g/mol
LogP2.29
Rot. Bonds4

About N-(2-aminophenyl)-2-methyl-6-nitrobenzenesulfonamide

N-(2-aminophenyl)-2-methyl-6-nitrobenzenesulfonamide (PubChem CID 43605528) has the molecular formula C13H13N3O4S and a molecular weight of 307.33 g/mol. Its IUPAC name is N-(2-aminophenyl)-2-methyl-6-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-2-methyl-6-nitrobenzenesulfonamide
PubChem CID43605528
Molecular FormulaC13H13N3O4S
Molecular Weight307.33 g/mol
Exact Mass307.06
IUPAC NameN-(2-aminophenyl)-2-methyl-6-nitrobenzenesulfonamide
SMILESCc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1ccccc1N
InChIInChI=1S/C13H13N3O4S/c1-9-5-4-8-12(16(17)18)13(9)21(19,20)15-11-7-3-2-6-10(11)14/h2-8,15H,14H2,1H3
InChIKeyKVIIWWZNMLLVLM-UHFFFAOYSA-N
XLogP2.29
TPSA115.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.33
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(2-aminophenyl)-2-methyl-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

N,2-dimethyl-6-nitrobenzenesulfonamide
CID 43446418
N-(3-amino-2-methylphenyl)-2-nitrobenzenesulfonamide
CID 43605074
N-(2,4-difluorophenyl)-2-methyl-6-nitrobenzenesulfonamide
CID 60532982
N-(2-methylphenyl)-2-nitrobenzenesulfonamide
CID 786523
N-(2-aminophenyl)-2,3,5,6-tetramethylbenzenesulfonamide
CID 43605525
N-(2-aminophenyl)-2-methyl-5-nitrobenzenesulfonamide
CID 43605579
N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2-methyl-6-nitrobenzenesulfonamide
CID 103895100
2-methyl-6-nitro-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 52698717
N-(4-bromo-3-methylphenyl)-2-methyl-6-nitrobenzenesulfonamide
CID 55731702
N,N,4-trimethyl-3-[(2-methyl-6-nitrophenyl)sulfonylamino]benzamide
CID 60534815
2-methyl-N-[(2S)-3-methylbutan-2-yl]-6-nitrobenzenesulfonamide
CID 51946487
N-(4-hydroxy-3-sulfamoylphenyl)-2-methyl-6-nitrobenzenesulfonamide
CID 75392215

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-2-methyl-6-nitrobenzenesulfonamide?
The IUPAC name of N-(2-aminophenyl)-2-methyl-6-nitrobenzenesulfonamide (CID 43605528) is N-(2-aminophenyl)-2-methyl-6-nitrobenzenesulfonamide.
What is the SMILES notation for N-(2-aminophenyl)-2-methyl-6-nitrobenzenesulfonamide?
The canonical SMILES for N-(2-aminophenyl)-2-methyl-6-nitrobenzenesulfonamide is Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1ccccc1N.
What is the InChIKey of N-(2-aminophenyl)-2-methyl-6-nitrobenzenesulfonamide?
The InChIKey is KVIIWWZNMLLVLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O4S/c1-9-5-4-8-12(16(17)18)13(9)21(19,20)15-11-7-3-2-6-10(11)14/h2-8,15H,14H2,1H3.
What are the key properties of N-(2-aminophenyl)-2-methyl-6-nitrobenzenesulfonamide?
N-(2-aminophenyl)-2-methyl-6-nitrobenzenesulfonamide has a molecular weight of 307.33 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-2-methyl-6-nitrobenzenesulfonamide is sourced from PubChem (CID 43605528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).