2,4-dichloro-3-(methylaminomethyl)-N-(2-propan-2-yloxyethyl)benzenesulfonamide

C13H20Cl2N2O3S — CID 106077414

IUPAC2,4-dichloro-3-(methylaminomethyl)-N-(2-propan-2-yloxyethyl)benzenesulfonamide
SMILESCNCc1c(Cl)ccc(S(=O)(=O)NCCOC(C)C)c1Cl
InChIInChI=1S/C13H20Cl2N2O3S/c1-9(2)20-7-6-17-21(18,19)12-5-4-11(14)10(8-16-3)13(12)15/h4-5,9,16-17H,6-8H2,1-3H3
InChIKeyQINDWRODSOQNGZ-UHFFFAOYSA-N
MW355.29 g/mol
LogP2.42
Rot. Bonds8

About 2,4-dichloro-3-(methylaminomethyl)-N-(2-propan-2-yloxyethyl)benzenesulfonamide

2,4-dichloro-3-(methylaminomethyl)-N-(2-propan-2-yloxyethyl)benzenesulfonamide (PubChem CID 106077414) has the molecular formula C13H20Cl2N2O3S and a molecular weight of 355.29 g/mol. Its IUPAC name is 2,4-dichloro-3-(methylaminomethyl)-N-(2-propan-2-yloxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name2,4-dichloro-3-(methylaminomethyl)-N-(2-propan-2-yloxyethyl)benzenesulfonamide
PubChem CID106077414
Molecular FormulaC13H20Cl2N2O3S
Molecular Weight355.29 g/mol
Exact Mass354.06
IUPAC Name2,4-dichloro-3-(methylaminomethyl)-N-(2-propan-2-yloxyethyl)benzenesulfonamide
SMILESCNCc1c(Cl)ccc(S(=O)(=O)NCCOC(C)C)c1Cl
InChIInChI=1S/C13H20Cl2N2O3S/c1-9(2)20-7-6-17-21(18,19)12-5-4-11(14)10(8-16-3)13(12)15/h4-5,9,16-17H,6-8H2,1-3H3
InChIKeyQINDWRODSOQNGZ-UHFFFAOYSA-N
XLogP2.42
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.29
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2,4-dichloro-3-(methylaminomethyl)-N-(2-propan-2-yloxyethyl)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-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 106077482
2,4-difluoro-3-(methylaminomethyl)-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 106077459
2,4-dichloro-3-(methylaminomethyl)-N-(3-methylsulfanylpropyl)benzenesulfonamide
CID 106066154
2-bromo-4-(methylaminomethyl)-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 106077493
2,4-dichloro-3-(methylaminomethyl)-N-pyrimidin-2-ylbenzenesulfonamide
CID 106071850
2,4-dichloro-N-(2-ethoxyethyl)-3-(ethylaminomethyl)benzenesulfonamide
CID 106019442
3-(aminomethyl)-2,4-dichloro-N-[2-(2-methylpropoxy)ethyl]benzenesulfonamide
CID 106085335
2,4-dichloro-N-(1-ethylsulfanylpropan-2-yl)-3-(methylaminomethyl)benzenesulfonamide
CID 106083183
2,4-dichloro-N-(2-methylsulfanylethyl)-3-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 106063814
2,4-dichloro-3-(methylaminomethyl)-N-(1,2,4-triazin-3-yl)benzenesulfonamide
CID 106081872
2-bromo-5-(methylaminomethyl)-N-(2-propan-2-yloxyethyl)thiophene-3-sulfonamide
CID 106077638
5-(methylaminomethyl)-N-(2-propan-2-yloxyethyl)pyridine-2-sulfonamide
CID 106077591

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-3-(methylaminomethyl)-N-(2-propan-2-yloxyethyl)benzenesulfonamide?
The IUPAC name of 2,4-dichloro-3-(methylaminomethyl)-N-(2-propan-2-yloxyethyl)benzenesulfonamide (CID 106077414) is 2,4-dichloro-3-(methylaminomethyl)-N-(2-propan-2-yloxyethyl)benzenesulfonamide.
What is the SMILES notation for 2,4-dichloro-3-(methylaminomethyl)-N-(2-propan-2-yloxyethyl)benzenesulfonamide?
The canonical SMILES for 2,4-dichloro-3-(methylaminomethyl)-N-(2-propan-2-yloxyethyl)benzenesulfonamide is CNCc1c(Cl)ccc(S(=O)(=O)NCCOC(C)C)c1Cl.
What is the InChIKey of 2,4-dichloro-3-(methylaminomethyl)-N-(2-propan-2-yloxyethyl)benzenesulfonamide?
The InChIKey is QINDWRODSOQNGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20Cl2N2O3S/c1-9(2)20-7-6-17-21(18,19)12-5-4-11(14)10(8-16-3)13(12)15/h4-5,9,16-17H,6-8H2,1-3H3.
What are the key properties of 2,4-dichloro-3-(methylaminomethyl)-N-(2-propan-2-yloxyethyl)benzenesulfonamide?
2,4-dichloro-3-(methylaminomethyl)-N-(2-propan-2-yloxyethyl)benzenesulfonamide has a molecular weight of 355.29 g/mol, XLogP of 2.42, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-3-(methylaminomethyl)-N-(2-propan-2-yloxyethyl)benzenesulfonamide is sourced from PubChem (CID 106077414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).