4-amino-2,6-dichloro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)benzenesulfonamide

C12H18Cl2N2O3S — CID 106181184

IUPAC4-amino-2,6-dichloro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)benzenesulfonamide
SMILESCC(C)(O)C(C)(C)NS(=O)(=O)c1c(Cl)cc(N)cc1Cl
InChIInChI=1S/C12H18Cl2N2O3S/c1-11(2,12(3,4)17)16-20(18,19)10-8(13)5-7(15)6-9(10)14/h5-6,16-17H,15H2,1-4H3
InChIKeyMFMKRIMADFYIJE-UHFFFAOYSA-N
MW341.26 g/mol
LogP2.40
Rot. Bonds4

About 4-amino-2,6-dichloro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)benzenesulfonamide

4-amino-2,6-dichloro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)benzenesulfonamide (PubChem CID 106181184) has the molecular formula C12H18Cl2N2O3S and a molecular weight of 341.26 g/mol. Its IUPAC name is 4-amino-2,6-dichloro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2,6-dichloro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)benzenesulfonamide
PubChem CID106181184
Molecular FormulaC12H18Cl2N2O3S
Molecular Weight341.26 g/mol
Exact Mass340.04
IUPAC Name4-amino-2,6-dichloro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)benzenesulfonamide
SMILESCC(C)(O)C(C)(C)NS(=O)(=O)c1c(Cl)cc(N)cc1Cl
InChIInChI=1S/C12H18Cl2N2O3S/c1-11(2,12(3,4)17)16-20(18,19)10-8(13)5-7(15)6-9(10)14/h5-6,16-17H,15H2,1-4H3
InChIKeyMFMKRIMADFYIJE-UHFFFAOYSA-N
XLogP2.40
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.26
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-amino-2,6-dichloro-N-(3-hydroxy-2,3-dimethylbutan-2-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

4-Amino-2,6-dichlorobenzene-1-sulfonamide
CID 22050186
3-amino-5-chloro-2-fluoro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)benzenesulfonamide
CID 106181373
5-amino-2-chloro-4-fluoro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)benzenesulfonamide
CID 106181468
5-amino-3-chloro-2-fluoro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)benzenesulfonamide
CID 106181512
4-amino-2-chloro-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 28103699
4-amino-N-tert-butyl-2-chlorobenzenesulfonamide
CID 28521025
2-amino-4,6-dichloro-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 43255609
4-amino-2,6-dichloro-N-propylbenzenesulfonamide
CID 43256853
4-amino-2,6-dichloro-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 43256864
4-amino-N-tert-butyl-2,6-dichlorobenzenesulfonamide
CID 43256902
4-amino-2,6-dichloro-N-propan-2-ylbenzenesulfonamide
CID 43256923
4-amino-2,6-dichloro-N-(2-methoxyethyl)benzenesulfonamide
CID 43256954

Frequently Asked Questions

What is the IUPAC name of 4-amino-2,6-dichloro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)benzenesulfonamide?
The IUPAC name of 4-amino-2,6-dichloro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)benzenesulfonamide (CID 106181184) is 4-amino-2,6-dichloro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-amino-2,6-dichloro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)benzenesulfonamide?
The canonical SMILES for 4-amino-2,6-dichloro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)benzenesulfonamide is CC(C)(O)C(C)(C)NS(=O)(=O)c1c(Cl)cc(N)cc1Cl.
What is the InChIKey of 4-amino-2,6-dichloro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)benzenesulfonamide?
The InChIKey is MFMKRIMADFYIJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18Cl2N2O3S/c1-11(2,12(3,4)17)16-20(18,19)10-8(13)5-7(15)6-9(10)14/h5-6,16-17H,15H2,1-4H3.
What are the key properties of 4-amino-2,6-dichloro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)benzenesulfonamide?
4-amino-2,6-dichloro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)benzenesulfonamide has a molecular weight of 341.26 g/mol, XLogP of 2.40, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,6-dichloro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)benzenesulfonamide is sourced from PubChem (CID 106181184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).