3-(aminomethyl)-2,4-dichloro-N-(2,3,3-trimethylbutyl)benzenesulfonamide

C14H22Cl2N2O2S — CID 83145270

IUPAC3-(aminomethyl)-2,4-dichloro-N-(2,3,3-trimethylbutyl)benzenesulfonamide
SMILESCC(CNS(=O)(=O)c1ccc(Cl)c(CN)c1Cl)C(C)(C)C
InChIInChI=1S/C14H22Cl2N2O2S/c1-9(14(2,3)4)8-18-21(19,20)12-6-5-11(15)10(7-17)13(12)16/h5-6,9,18H,7-8,17H2,1-4H3
InChIKeyGVMRGSOYDYURHU-UHFFFAOYSA-N
MW353.32 g/mol
LogP3.41
Rot. Bonds5

About 3-(aminomethyl)-2,4-dichloro-N-(2,3,3-trimethylbutyl)benzenesulfonamide

3-(aminomethyl)-2,4-dichloro-N-(2,3,3-trimethylbutyl)benzenesulfonamide (PubChem CID 83145270) has the molecular formula C14H22Cl2N2O2S and a molecular weight of 353.32 g/mol. Its IUPAC name is 3-(aminomethyl)-2,4-dichloro-N-(2,3,3-trimethylbutyl)benzenesulfonamide.

Molecular Properties

Compound Name3-(aminomethyl)-2,4-dichloro-N-(2,3,3-trimethylbutyl)benzenesulfonamide
PubChem CID83145270
Molecular FormulaC14H22Cl2N2O2S
Molecular Weight353.32 g/mol
Exact Mass352.08
IUPAC Name3-(aminomethyl)-2,4-dichloro-N-(2,3,3-trimethylbutyl)benzenesulfonamide
SMILESCC(CNS(=O)(=O)c1ccc(Cl)c(CN)c1Cl)C(C)(C)C
InChIInChI=1S/C14H22Cl2N2O2S/c1-9(14(2,3)4)8-18-21(19,20)12-6-5-11(15)10(7-17)13(12)16/h5-6,9,18H,7-8,17H2,1-4H3
InChIKeyGVMRGSOYDYURHU-UHFFFAOYSA-N
XLogP3.41
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.32
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(aminomethyl)-2,4-dichloro-N-(2,3,3-trimethylbutyl)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

3-(aminomethyl)-2,4-dichloro-N-(3,3-dimethylbutan-2-yl)benzenesulfonamide
CID 106079098
3-(aminomethyl)-2,4-dichloro-N-(5-methylhexyl)benzenesulfonamide
CID 115327618
3-(aminomethyl)-2,4-dichloro-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 106077482
3-(aminomethyl)-2,4-dichloro-N-[2-(2-methylpropoxy)ethyl]benzenesulfonamide
CID 106085335
4-(aminomethyl)-2-methyl-N-(2,3,3-trimethylbutyl)benzenesulfonamide
CID 106997096
3-(aminomethyl)-2,4-dichloro-N-[4-(dimethylamino)butan-2-yl]benzenesulfonamide
CID 106054870
3-(aminomethyl)-2,4-dichloro-N-pyrimidin-2-ylbenzenesulfonamide
CID 106071916
3-(aminomethyl)-2,4-dichloro-N-thiophen-3-ylbenzenesulfonamide
CID 106069936
2,4-dichloro-3-(chloromethyl)-N-(2-methoxypropyl)benzenesulfonamide
CID 102701358
3-(aminomethyl)-2,4-dichloro-N-(5-methoxypentyl)benzenesulfonamide
CID 106092715
3-(aminomethyl)-2,4-dichloro-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide
CID 106218593
3-(aminomethyl)-2,4-dichloro-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]benzenesulfonamide
CID 106093525

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-2,4-dichloro-N-(2,3,3-trimethylbutyl)benzenesulfonamide?
The IUPAC name of 3-(aminomethyl)-2,4-dichloro-N-(2,3,3-trimethylbutyl)benzenesulfonamide (CID 83145270) is 3-(aminomethyl)-2,4-dichloro-N-(2,3,3-trimethylbutyl)benzenesulfonamide.
What is the SMILES notation for 3-(aminomethyl)-2,4-dichloro-N-(2,3,3-trimethylbutyl)benzenesulfonamide?
The canonical SMILES for 3-(aminomethyl)-2,4-dichloro-N-(2,3,3-trimethylbutyl)benzenesulfonamide is CC(CNS(=O)(=O)c1ccc(Cl)c(CN)c1Cl)C(C)(C)C.
What is the InChIKey of 3-(aminomethyl)-2,4-dichloro-N-(2,3,3-trimethylbutyl)benzenesulfonamide?
The InChIKey is GVMRGSOYDYURHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22Cl2N2O2S/c1-9(14(2,3)4)8-18-21(19,20)12-6-5-11(15)10(7-17)13(12)16/h5-6,9,18H,7-8,17H2,1-4H3.
What are the key properties of 3-(aminomethyl)-2,4-dichloro-N-(2,3,3-trimethylbutyl)benzenesulfonamide?
3-(aminomethyl)-2,4-dichloro-N-(2,3,3-trimethylbutyl)benzenesulfonamide has a molecular weight of 353.32 g/mol, XLogP of 3.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-2,4-dichloro-N-(2,3,3-trimethylbutyl)benzenesulfonamide is sourced from PubChem (CID 83145270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).