4-amino-2,6-dichloro-N-(2-ethoxy-2-methylpropyl)benzenesulfonamide

C12H18Cl2N2O3S — CID 114940424

IUPAC4-amino-2,6-dichloro-N-(2-ethoxy-2-methylpropyl)benzenesulfonamide
SMILESCCOC(C)(C)CNS(=O)(=O)c1c(Cl)cc(N)cc1Cl
InChIInChI=1S/C12H18Cl2N2O3S/c1-4-19-12(2,3)7-16-20(17,18)11-9(13)5-8(15)6-10(11)14/h5-6,16H,4,7,15H2,1-3H3
InChIKeyRGBZBTFFZQXAGE-UHFFFAOYSA-N
MW341.26 g/mol
LogP2.67
Rot. Bonds6

About 4-amino-2,6-dichloro-N-(2-ethoxy-2-methylpropyl)benzenesulfonamide

4-amino-2,6-dichloro-N-(2-ethoxy-2-methylpropyl)benzenesulfonamide (PubChem CID 114940424) has the molecular formula C12H18Cl2N2O3S and a molecular weight of 341.26 g/mol. Its IUPAC name is 4-amino-2,6-dichloro-N-(2-ethoxy-2-methylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2,6-dichloro-N-(2-ethoxy-2-methylpropyl)benzenesulfonamide
PubChem CID114940424
Molecular FormulaC12H18Cl2N2O3S
Molecular Weight341.26 g/mol
Exact Mass340.04
IUPAC Name4-amino-2,6-dichloro-N-(2-ethoxy-2-methylpropyl)benzenesulfonamide
SMILESCCOC(C)(C)CNS(=O)(=O)c1c(Cl)cc(N)cc1Cl
InChIInChI=1S/C12H18Cl2N2O3S/c1-4-19-12(2,3)7-16-20(17,18)11-9(13)5-8(15)6-10(11)14/h5-6,16H,4,7,15H2,1-3H3
InChIKeyRGBZBTFFZQXAGE-UHFFFAOYSA-N
XLogP2.67
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.26
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-amino-2,6-dichloro-N-(2-ethoxy-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

3-amino-4-bromo-5-chloro-N-(2-ethoxy-2-methylpropyl)-2-fluorobenzenesulfonamide
CID 103077770
4-amino-2,6-dichloro-N-(2-ethoxyethyl)benzenesulfonamide
CID 43590962
5-amino-N-(2-ethoxy-2-methylpropyl)-2-methylbenzenesulfonamide
CID 114940395
methyl 2-[(4-amino-2,6-dichlorophenyl)sulfonylamino]acetate
CID 43257166
4-bromo-2,6-dichloro-N-(2-methoxy-2-methylpropyl)benzenesulfonamide
CID 115650766
5-amino-4-bromo-N-(2-ethoxy-2-methylpropyl)-2-methylbenzenesulfonamide
CID 114940420
2-chloro-4-cyano-N-(2-ethoxy-2-methylpropyl)benzenesulfonamide
CID 114942473
3,5-dichloro-4-ethylsulfonylaniline
CID 106891277
4-chloro-N-(2-ethoxy-2-methylpropyl)-3-nitrobenzenesulfonamide
CID 114941710
4-amino-N-(2-ethoxy-2-methylpropyl)-2-nitrobenzenesulfonamide
CID 114944051
4-amino-2,6-dichloro-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 63981794
4-amino-2,6-dibromo-N-(2-methoxy-2-methylpropyl)benzenesulfonamide
CID 104758524

Frequently Asked Questions

What is the IUPAC name of 4-amino-2,6-dichloro-N-(2-ethoxy-2-methylpropyl)benzenesulfonamide?
The IUPAC name of 4-amino-2,6-dichloro-N-(2-ethoxy-2-methylpropyl)benzenesulfonamide (CID 114940424) is 4-amino-2,6-dichloro-N-(2-ethoxy-2-methylpropyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-2,6-dichloro-N-(2-ethoxy-2-methylpropyl)benzenesulfonamide?
The canonical SMILES for 4-amino-2,6-dichloro-N-(2-ethoxy-2-methylpropyl)benzenesulfonamide is CCOC(C)(C)CNS(=O)(=O)c1c(Cl)cc(N)cc1Cl.
What is the InChIKey of 4-amino-2,6-dichloro-N-(2-ethoxy-2-methylpropyl)benzenesulfonamide?
The InChIKey is RGBZBTFFZQXAGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18Cl2N2O3S/c1-4-19-12(2,3)7-16-20(17,18)11-9(13)5-8(15)6-10(11)14/h5-6,16H,4,7,15H2,1-3H3.
What are the key properties of 4-amino-2,6-dichloro-N-(2-ethoxy-2-methylpropyl)benzenesulfonamide?
4-amino-2,6-dichloro-N-(2-ethoxy-2-methylpropyl)benzenesulfonamide has a molecular weight of 341.26 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,6-dichloro-N-(2-ethoxy-2-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 114940424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).