N-(2,2-dimethylbutyl)-2,4-dimethyl-5-(methylaminomethyl)benzenesulfonamide

C16H28N2O2S — CID 103465956

IUPACN-(2,2-dimethylbutyl)-2,4-dimethyl-5-(methylaminomethyl)benzenesulfonamide
SMILESCCC(C)(C)CNS(=O)(=O)c1cc(CNC)c(C)cc1C
InChIInChI=1S/C16H28N2O2S/c1-7-16(4,5)11-18-21(19,20)15-9-14(10-17-6)12(2)8-13(15)3/h8-9,17-18H,7,10-11H2,1-6H3
InChIKeyGHDVBTXFORWMQT-UHFFFAOYSA-N
MW312.48 g/mol
LogP2.74
Rot. Bonds7

About N-(2,2-dimethylbutyl)-2,4-dimethyl-5-(methylaminomethyl)benzenesulfonamide

N-(2,2-dimethylbutyl)-2,4-dimethyl-5-(methylaminomethyl)benzenesulfonamide (PubChem CID 103465956) has the molecular formula C16H28N2O2S and a molecular weight of 312.48 g/mol. Its IUPAC name is N-(2,2-dimethylbutyl)-2,4-dimethyl-5-(methylaminomethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2,2-dimethylbutyl)-2,4-dimethyl-5-(methylaminomethyl)benzenesulfonamide
PubChem CID103465956
Molecular FormulaC16H28N2O2S
Molecular Weight312.48 g/mol
Exact Mass312.19
IUPAC NameN-(2,2-dimethylbutyl)-2,4-dimethyl-5-(methylaminomethyl)benzenesulfonamide
SMILESCCC(C)(C)CNS(=O)(=O)c1cc(CNC)c(C)cc1C
InChIInChI=1S/C16H28N2O2S/c1-7-16(4,5)11-18-21(19,20)15-9-14(10-17-6)12(2)8-13(15)3/h8-9,17-18H,7,10-11H2,1-6H3
InChIKeyGHDVBTXFORWMQT-UHFFFAOYSA-N
XLogP2.74
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.48
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(2,2-dimethylbutyl)-2,4-dimethyl-5-(methylaminomethyl)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

2,4-dimethyl-5-(methylaminomethyl)-N-(2-methylpentan-3-yl)benzenesulfonamide
CID 106018965
2,4-dimethyl-5-(methylaminomethyl)-N-(3-methylpentan-2-yl)benzenesulfonamide
CID 106053867
N-(2,2-dimethylbutyl)-2,3-difluoro-5-(methylaminomethyl)benzenesulfonamide
CID 103466290
2-bromo-N-(2,2-dimethylbutyl)-5-(methylaminomethyl)furan-3-sulfonamide
CID 103466005
4-chloro-N-(2,2-dimethylbutyl)-3-fluoro-5-(methylaminomethyl)benzenesulfonamide
CID 103466084
2,4-dimethyl-5-(methylaminomethyl)-N-(2-methylcyclopentyl)benzenesulfonamide
CID 106064380
2-bromo-N-(2,2-dimethylbutyl)-4-methylbenzenesulfonamide
CID 103463984
N-(2-ethoxy-2-methylpropyl)-4-methyl-3-(methylaminomethyl)benzenesulfonamide
CID 106086792
2,4-dimethyl-N-(2-methylsulfanylethyl)-5-(propylaminomethyl)benzenesulfonamide
CID 106063487
4-methyl-3-(methylaminomethyl)-N-(3-methylpentan-3-yl)benzenesulfonamide
CID 106331807
N-(3-chloro-2,2-dimethylpropyl)-2,5-dimethylbenzenesulfonamide
CID 113295115
N-(2-hydroxy-2-methylbutyl)-2-methyl-5-nitrobenzenesulfonamide
CID 65112954

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylbutyl)-2,4-dimethyl-5-(methylaminomethyl)benzenesulfonamide?
The IUPAC name of N-(2,2-dimethylbutyl)-2,4-dimethyl-5-(methylaminomethyl)benzenesulfonamide (CID 103465956) is N-(2,2-dimethylbutyl)-2,4-dimethyl-5-(methylaminomethyl)benzenesulfonamide.
What is the SMILES notation for N-(2,2-dimethylbutyl)-2,4-dimethyl-5-(methylaminomethyl)benzenesulfonamide?
The canonical SMILES for N-(2,2-dimethylbutyl)-2,4-dimethyl-5-(methylaminomethyl)benzenesulfonamide is CCC(C)(C)CNS(=O)(=O)c1cc(CNC)c(C)cc1C.
What is the InChIKey of N-(2,2-dimethylbutyl)-2,4-dimethyl-5-(methylaminomethyl)benzenesulfonamide?
The InChIKey is GHDVBTXFORWMQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2S/c1-7-16(4,5)11-18-21(19,20)15-9-14(10-17-6)12(2)8-13(15)3/h8-9,17-18H,7,10-11H2,1-6H3.
What are the key properties of N-(2,2-dimethylbutyl)-2,4-dimethyl-5-(methylaminomethyl)benzenesulfonamide?
N-(2,2-dimethylbutyl)-2,4-dimethyl-5-(methylaminomethyl)benzenesulfonamide has a molecular weight of 312.48 g/mol, XLogP of 2.74, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylbutyl)-2,4-dimethyl-5-(methylaminomethyl)benzenesulfonamide is sourced from PubChem (CID 103465956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).