2-amino-4,5-dimethyl-N-(3-methylpentan-3-yl)benzenesulfonamide

C14H24N2O2S — CID 106327922

IUPAC2-amino-4,5-dimethyl-N-(3-methylpentan-3-yl)benzenesulfonamide
SMILESCCC(C)(CC)NS(=O)(=O)c1cc(C)c(C)cc1N
InChIInChI=1S/C14H24N2O2S/c1-6-14(5,7-2)16-19(17,18)13-9-11(4)10(3)8-12(13)15/h8-9,16H,6-7,15H2,1-5H3
InChIKeyRZGPFVZYDDQVRD-UHFFFAOYSA-N
MW284.43 g/mol
LogP2.74
Rot. Bonds5

About 2-amino-4,5-dimethyl-N-(3-methylpentan-3-yl)benzenesulfonamide

2-amino-4,5-dimethyl-N-(3-methylpentan-3-yl)benzenesulfonamide (PubChem CID 106327922) has the molecular formula C14H24N2O2S and a molecular weight of 284.43 g/mol. Its IUPAC name is 2-amino-4,5-dimethyl-N-(3-methylpentan-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4,5-dimethyl-N-(3-methylpentan-3-yl)benzenesulfonamide
PubChem CID106327922
Molecular FormulaC14H24N2O2S
Molecular Weight284.43 g/mol
Exact Mass284.16
IUPAC Name2-amino-4,5-dimethyl-N-(3-methylpentan-3-yl)benzenesulfonamide
SMILESCCC(C)(CC)NS(=O)(=O)c1cc(C)c(C)cc1N
InChIInChI=1S/C14H24N2O2S/c1-6-14(5,7-2)16-19(17,18)13-9-11(4)10(3)8-12(13)15/h8-9,16H,6-7,15H2,1-5H3
InChIKeyRZGPFVZYDDQVRD-UHFFFAOYSA-N
XLogP2.74
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 52.74
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-(3-methylpentan-3-yl)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

5-(aminomethyl)-2,3-dimethyl-N-(3-methylpentan-3-yl)benzenesulfonamide
CID 106331812
2-amino-3,6-dimethyl-N-(3-methylpentan-3-yl)benzenesulfonamide
CID 106327896
2-amino-N-(3-ethylpentan-2-yl)-4,5-dimethylbenzenesulfonamide
CID 63842393
5-(aminomethyl)-2-methyl-N-(3-methylpentan-3-yl)furan-3-sulfonamide
CID 114174620
5-amino-3-fluoro-2-methyl-N-(3-methylpentan-3-yl)benzenesulfonamide
CID 106327934
2-amino-4,5-dimethyl-N-(2-methylpropyl)benzenesulfonamide
CID 30057072
4-fluoro-2,6-dimethyl-N-(3-methylpentan-3-yl)benzenesulfonamide
CID 106328497
2-amino-4,5-dimethyl-N-(2-methylbutyl)benzenesulfonamide
CID 62699271
3,4-dimethyl-5-(3-methylpentan-3-ylsulfamoyl)benzoic acid
CID 106328337
3-amino-N-(1-hydroxy-2-methylbutan-2-yl)-4-methylbenzenesulfonamide
CID 64549704
2-amino-4,6-dichloro-N-(3-methylpentan-3-yl)benzenesulfonamide
CID 106327833
4-(ethylamino)-2,6-dimethyl-N-(3-methylpentan-3-yl)benzenesulfonamide
CID 106331206

Frequently Asked Questions

What is the IUPAC name of 2-amino-4,5-dimethyl-N-(3-methylpentan-3-yl)benzenesulfonamide?
The IUPAC name of 2-amino-4,5-dimethyl-N-(3-methylpentan-3-yl)benzenesulfonamide (CID 106327922) is 2-amino-4,5-dimethyl-N-(3-methylpentan-3-yl)benzenesulfonamide.
What is the SMILES notation for 2-amino-4,5-dimethyl-N-(3-methylpentan-3-yl)benzenesulfonamide?
The canonical SMILES for 2-amino-4,5-dimethyl-N-(3-methylpentan-3-yl)benzenesulfonamide is CCC(C)(CC)NS(=O)(=O)c1cc(C)c(C)cc1N.
What is the InChIKey of 2-amino-4,5-dimethyl-N-(3-methylpentan-3-yl)benzenesulfonamide?
The InChIKey is RZGPFVZYDDQVRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-6-14(5,7-2)16-19(17,18)13-9-11(4)10(3)8-12(13)15/h8-9,16H,6-7,15H2,1-5H3.
What are the key properties of 2-amino-4,5-dimethyl-N-(3-methylpentan-3-yl)benzenesulfonamide?
2-amino-4,5-dimethyl-N-(3-methylpentan-3-yl)benzenesulfonamide has a molecular weight of 284.43 g/mol, XLogP of 2.74, 5 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-(3-methylpentan-3-yl)benzenesulfonamide is sourced from PubChem (CID 106327922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).