2-amino-4,5-dimethyl-N-(2-methylpropyl)benzenesulfonamide

C12H20N2O2S — CID 30057072

IUPAC2-amino-4,5-dimethyl-N-(2-methylpropyl)benzenesulfonamide
SMILESCc1cc(N)c(S(=O)(=O)NCC(C)C)cc1C
InChIInChI=1S/C12H20N2O2S/c1-8(2)7-14-17(15,16)12-6-10(4)9(3)5-11(12)13/h5-6,8,14H,7,13H2,1-4H3
InChIKeyLJMPKCRDZZUYLD-UHFFFAOYSA-N
MW256.37 g/mol
LogP1.82
Rot. Bonds4

About 2-amino-4,5-dimethyl-N-(2-methylpropyl)benzenesulfonamide

2-amino-4,5-dimethyl-N-(2-methylpropyl)benzenesulfonamide (PubChem CID 30057072) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is 2-amino-4,5-dimethyl-N-(2-methylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4,5-dimethyl-N-(2-methylpropyl)benzenesulfonamide
PubChem CID30057072
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC Name2-amino-4,5-dimethyl-N-(2-methylpropyl)benzenesulfonamide
SMILESCc1cc(N)c(S(=O)(=O)NCC(C)C)cc1C
InChIInChI=1S/C12H20N2O2S/c1-8(2)7-14-17(15,16)12-6-10(4)9(3)5-11(12)13/h5-6,8,14H,7,13H2,1-4H3
InChIKeyLJMPKCRDZZUYLD-UHFFFAOYSA-N
XLogP1.82
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-amino-4,5-dimethyl-N-(2-methylpropyl)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-amino-4,5-dimethyl-N-(2-methylbutyl)benzenesulfonamide
CID 62699271
2-methoxy-4,5-dimethyl-N-(2-methylpropyl)benzenesulfonamide
CID 43845640
2-amino-N-(3-ethylpentan-2-yl)-4,5-dimethylbenzenesulfonamide
CID 63842393
2-amino-N-(2-methylpropyl)benzenesulfonamide
CID 16787736
2-amino-N-(2-methoxyethyl)-4,5-dimethylbenzenesulfonamide
CID 29054263
2-amino-4,5-dimethyl-N-(3-methylsulfonylpropyl)benzenesulfonamide
CID 61127178
2-amino-N-(3-methoxypropyl)-4,5-dimethylbenzenesulfonamide
CID 43153258
N-(2-hydroxypropyl)-2,4,5-trimethylbenzenesulfonamide
CID 43845575
2-amino-N-(2-cyclopentyloxyethyl)-4,5-dimethylbenzenesulfonamide
CID 63825119
2-amino-4,5-dimethyl-N-(3-methylpentan-3-yl)benzenesulfonamide
CID 106327922
2-amino-4,5-dimethyl-N-(3-propoxypropyl)benzenesulfonamide
CID 82949556
5-bromo-2-methyl-N-(2-methylpropyl)benzenesulfonamide
CID 8777819

Frequently Asked Questions

What is the IUPAC name of 2-amino-4,5-dimethyl-N-(2-methylpropyl)benzenesulfonamide?
The IUPAC name of 2-amino-4,5-dimethyl-N-(2-methylpropyl)benzenesulfonamide (CID 30057072) is 2-amino-4,5-dimethyl-N-(2-methylpropyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-4,5-dimethyl-N-(2-methylpropyl)benzenesulfonamide?
The canonical SMILES for 2-amino-4,5-dimethyl-N-(2-methylpropyl)benzenesulfonamide is Cc1cc(N)c(S(=O)(=O)NCC(C)C)cc1C.
What is the InChIKey of 2-amino-4,5-dimethyl-N-(2-methylpropyl)benzenesulfonamide?
The InChIKey is LJMPKCRDZZUYLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-8(2)7-14-17(15,16)12-6-10(4)9(3)5-11(12)13/h5-6,8,14H,7,13H2,1-4H3.
What are the key properties of 2-amino-4,5-dimethyl-N-(2-methylpropyl)benzenesulfonamide?
2-amino-4,5-dimethyl-N-(2-methylpropyl)benzenesulfonamide has a molecular weight of 256.37 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,5-dimethyl-N-(2-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 30057072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).