N-(2-aminophenyl)-2,3,5,6-tetramethylbenzenesulfonamide

C16H20N2O2S — CID 43605525

IUPACN-(2-aminophenyl)-2,3,5,6-tetramethylbenzenesulfonamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)Nc2ccccc2N)c1C
InChIInChI=1S/C16H20N2O2S/c1-10-9-11(2)13(4)16(12(10)3)21(19,20)18-15-8-6-5-7-14(15)17/h5-9,18H,17H2,1-4H3
InChIKeyODSYNIXJJUOTII-UHFFFAOYSA-N
MW304.41 g/mol
LogP3.30
Rot. Bonds3

About N-(2-aminophenyl)-2,3,5,6-tetramethylbenzenesulfonamide

N-(2-aminophenyl)-2,3,5,6-tetramethylbenzenesulfonamide (PubChem CID 43605525) has the molecular formula C16H20N2O2S and a molecular weight of 304.41 g/mol. Its IUPAC name is N-(2-aminophenyl)-2,3,5,6-tetramethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-2,3,5,6-tetramethylbenzenesulfonamide
PubChem CID43605525
Molecular FormulaC16H20N2O2S
Molecular Weight304.41 g/mol
Exact Mass304.12
IUPAC NameN-(2-aminophenyl)-2,3,5,6-tetramethylbenzenesulfonamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)Nc2ccccc2N)c1C
InChIInChI=1S/C16H20N2O2S/c1-10-9-11(2)13(4)16(12(10)3)21(19,20)18-15-8-6-5-7-14(15)17/h5-9,18H,17H2,1-4H3
InChIKeyODSYNIXJJUOTII-UHFFFAOYSA-N
XLogP3.30
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-(2-iodophenyl)-2,5,6-trimethylbenzenesulfonamide
CID 106503720
N-(2-butan-2-ylphenyl)-2,3,5,6-tetramethylbenzenesulfonamide
CID 22774422
2,3,5,6-tetramethyl-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 22202725
N-(2-aminophenyl)-2,5-dibromo-4-methylbenzenesulfonamide
CID 81327386
N-(2-aminophenyl)-2-methyl-6-nitrobenzenesulfonamide
CID 43605528
6-amino-N-(2-ethylphenyl)-2,3-dimethylbenzenesulfonamide
CID 43257782
N-[2-(4-chlorophenyl)sulfanylphenyl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 22202209
2-amino-N-(2-methylsulfonylphenyl)benzenesulfonamide
CID 61108416
N-(2-aminophenyl)-4-cyano-2-methylbenzenesulfonamide
CID 106996452
N-(1H-indazol-4-yl)-2,3,5,6-tetramethylbenzenesulfonamide
CID 60579360
N-(2-aminophenyl)-5-methylthiophene-2-sulfonamide
CID 28783373
2,3,5,6-tetramethyl-N-pyridin-2-ylbenzenesulfonamide
CID 2147472

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-2,3,5,6-tetramethylbenzenesulfonamide?
The IUPAC name of N-(2-aminophenyl)-2,3,5,6-tetramethylbenzenesulfonamide (CID 43605525) is N-(2-aminophenyl)-2,3,5,6-tetramethylbenzenesulfonamide.
What is the SMILES notation for N-(2-aminophenyl)-2,3,5,6-tetramethylbenzenesulfonamide?
The canonical SMILES for N-(2-aminophenyl)-2,3,5,6-tetramethylbenzenesulfonamide is Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccccc2N)c1C.
What is the InChIKey of N-(2-aminophenyl)-2,3,5,6-tetramethylbenzenesulfonamide?
The InChIKey is ODSYNIXJJUOTII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-10-9-11(2)13(4)16(12(10)3)21(19,20)18-15-8-6-5-7-14(15)17/h5-9,18H,17H2,1-4H3.
What are the key properties of N-(2-aminophenyl)-2,3,5,6-tetramethylbenzenesulfonamide?
N-(2-aminophenyl)-2,3,5,6-tetramethylbenzenesulfonamide has a molecular weight of 304.41 g/mol, XLogP of 3.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-2,3,5,6-tetramethylbenzenesulfonamide is sourced from PubChem (CID 43605525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).