5-amino-2-chloro-4-fluoro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)benzenesulfonamide

C12H18ClFN2O3S — CID 106181468

IUPAC5-amino-2-chloro-4-fluoro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)benzenesulfonamide
SMILESCC(C)(O)C(C)(C)NS(=O)(=O)c1cc(N)c(F)cc1Cl
InChIInChI=1S/C12H18ClFN2O3S/c1-11(2,12(3,4)17)16-20(18,19)10-6-9(15)8(14)5-7(10)13/h5-6,16-17H,15H2,1-4H3
InChIKeyFTGVVQCYLIEIEO-UHFFFAOYSA-N
MW324.81 g/mol
LogP1.89
Rot. Bonds4

About 5-amino-2-chloro-4-fluoro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)benzenesulfonamide

5-amino-2-chloro-4-fluoro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)benzenesulfonamide (PubChem CID 106181468) has the molecular formula C12H18ClFN2O3S and a molecular weight of 324.81 g/mol. Its IUPAC name is 5-amino-2-chloro-4-fluoro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-chloro-4-fluoro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)benzenesulfonamide
PubChem CID106181468
Molecular FormulaC12H18ClFN2O3S
Molecular Weight324.81 g/mol
Exact Mass324.07
IUPAC Name5-amino-2-chloro-4-fluoro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)benzenesulfonamide
SMILESCC(C)(O)C(C)(C)NS(=O)(=O)c1cc(N)c(F)cc1Cl
InChIInChI=1S/C12H18ClFN2O3S/c1-11(2,12(3,4)17)16-20(18,19)10-6-9(15)8(14)5-7(10)13/h5-6,16-17H,15H2,1-4H3
InChIKeyFTGVVQCYLIEIEO-UHFFFAOYSA-N
XLogP1.89
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.81
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-amino-2-chloro-4-fluoro-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

5-Amino-2-chloro-4-fluorobenzene-1-sulfonamide
CID 13045545
5-amino-3-chloro-2-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide
CID 43498633
5-amino-2-chloro-4-fluoro-N-methyl-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 54978743
5-amino-2-chloro-4-fluoro-N-hexan-3-ylbenzenesulfonamide
CID 55033306
5-amino-2-chloro-4-fluoro-N-methyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
CID 55257848
5-amino-2-chloro-4-fluoro-N-hexylbenzenesulfonamide
CID 61108374
5-amino-2-chloro-4-fluoro-N-(6-methylheptan-2-yl)benzenesulfonamide
CID 61108536
5-amino-2-chloro-4-fluoro-N-methyl-N-(4-methylpentan-2-yl)benzenesulfonamide
CID 61110881
5-amino-2-chloro-4-fluoro-N-pentan-3-ylbenzenesulfonamide
CID 61110953
5-amino-N-butyl-2-chloro-N-ethyl-4-fluorobenzenesulfonamide
CID 61110960
5-amino-2-chloro-4-fluoro-N-methyl-N-pentylbenzenesulfonamide
CID 61110975
5-amino-2-chloro-4-fluoro-N-methyl-N-(2-methylbutyl)benzenesulfonamide
CID 61110976

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-chloro-4-fluoro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)benzenesulfonamide?
The IUPAC name of 5-amino-2-chloro-4-fluoro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)benzenesulfonamide (CID 106181468) is 5-amino-2-chloro-4-fluoro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)benzenesulfonamide.
What is the SMILES notation for 5-amino-2-chloro-4-fluoro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)benzenesulfonamide?
The canonical SMILES for 5-amino-2-chloro-4-fluoro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)benzenesulfonamide is CC(C)(O)C(C)(C)NS(=O)(=O)c1cc(N)c(F)cc1Cl.
What is the InChIKey of 5-amino-2-chloro-4-fluoro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)benzenesulfonamide?
The InChIKey is FTGVVQCYLIEIEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClFN2O3S/c1-11(2,12(3,4)17)16-20(18,19)10-6-9(15)8(14)5-7(10)13/h5-6,16-17H,15H2,1-4H3.
What are the key properties of 5-amino-2-chloro-4-fluoro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)benzenesulfonamide?
5-amino-2-chloro-4-fluoro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)benzenesulfonamide has a molecular weight of 324.81 g/mol, XLogP of 1.89, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-chloro-4-fluoro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)benzenesulfonamide is sourced from PubChem (CID 106181468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).