4-amino-2-methyl-N-(2-propan-2-ylphenyl)benzenesulfonamide

C16H20N2O2S — CID 43258274

IUPAC4-amino-2-methyl-N-(2-propan-2-ylphenyl)benzenesulfonamide
SMILESCc1cc(N)ccc1S(=O)(=O)Nc1ccccc1C(C)C
InChIInChI=1S/C16H20N2O2S/c1-11(2)14-6-4-5-7-15(14)18-21(19,20)16-9-8-13(17)10-12(16)3/h4-11,18H,17H2,1-3H3
InChIKeyFUHUHTWOGRIFQS-UHFFFAOYSA-N
MW304.42 g/mol
LogP3.50
Rot. Bonds4

About 4-amino-2-methyl-N-(2-propan-2-ylphenyl)benzenesulfonamide

4-amino-2-methyl-N-(2-propan-2-ylphenyl)benzenesulfonamide (PubChem CID 43258274) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is 4-amino-2-methyl-N-(2-propan-2-ylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2-methyl-N-(2-propan-2-ylphenyl)benzenesulfonamide
PubChem CID43258274
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Name4-amino-2-methyl-N-(2-propan-2-ylphenyl)benzenesulfonamide
SMILESCc1cc(N)ccc1S(=O)(=O)Nc1ccccc1C(C)C
InChIInChI=1S/C16H20N2O2S/c1-11(2)14-6-4-5-7-15(14)18-21(19,20)16-9-8-13(17)10-12(16)3/h4-11,18H,17H2,1-3H3
InChIKeyFUHUHTWOGRIFQS-UHFFFAOYSA-N
XLogP3.50
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-amino-2-methyl-N-(2-propan-2-ylphenyl)benzenesulfonamide 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-bromo-4,5-dimethyl-N-(2-propan-2-ylphenyl)benzenesulfonamide
CID 146147461
2-[(4-amino-2-methylphenyl)sulfonylamino]benzoic acid
CID 71439747
N-(4-amino-2-methylphenyl)-2,4-dimethylbenzenesulfonamide
CID 43120010
4-amino-N-(5-fluoro-2-methylphenyl)-2-methylbenzenesulfonamide
CID 43257739
4-amino-N-(2,6-dibromophenyl)-2-methylbenzenesulfonamide
CID 107596339
methyl 4-methyl-3-[(2-propan-2-ylphenyl)sulfamoyl]benzoate
CID 35507391
4-amino-2-cyano-N-(2-methylphenyl)benzenesulfonamide
CID 43256224
4-amino-2-methyl-N-(2,3,5-trifluorophenyl)benzenesulfonamide
CID 62809289
4-amino-2-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzenesulfonamide
CID 104616923
5-amino-2,3-dimethyl-N-(2-methylphenyl)benzenesulfonamide
CID 29288655
3-amino-4-hydroxy-N-(2-propan-2-ylphenyl)benzenesulfonamide
CID 29035063
N-(4-amino-2-methylphenyl)-4-cyano-2-methylbenzenesulfonamide
CID 106996447

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-methyl-N-(2-propan-2-ylphenyl)benzenesulfonamide?
The IUPAC name of 4-amino-2-methyl-N-(2-propan-2-ylphenyl)benzenesulfonamide (CID 43258274) is 4-amino-2-methyl-N-(2-propan-2-ylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-2-methyl-N-(2-propan-2-ylphenyl)benzenesulfonamide?
The canonical SMILES for 4-amino-2-methyl-N-(2-propan-2-ylphenyl)benzenesulfonamide is Cc1cc(N)ccc1S(=O)(=O)Nc1ccccc1C(C)C.
What is the InChIKey of 4-amino-2-methyl-N-(2-propan-2-ylphenyl)benzenesulfonamide?
The InChIKey is FUHUHTWOGRIFQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-11(2)14-6-4-5-7-15(14)18-21(19,20)16-9-8-13(17)10-12(16)3/h4-11,18H,17H2,1-3H3.
What are the key properties of 4-amino-2-methyl-N-(2-propan-2-ylphenyl)benzenesulfonamide?
4-amino-2-methyl-N-(2-propan-2-ylphenyl)benzenesulfonamide has a molecular weight of 304.42 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-methyl-N-(2-propan-2-ylphenyl)benzenesulfonamide is sourced from PubChem (CID 43258274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).