5-amino-2-chloro-4-fluoro-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzenesulfonamide

C12H13ClFN3O2S2 — CID 61479389

IUPAC5-amino-2-chloro-4-fluoro-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzenesulfonamide
SMILESCC(C)c1csc(NS(=O)(=O)c2cc(N)c(F)cc2Cl)n1
InChIInChI=1S/C12H13ClFN3O2S2/c1-6(2)10-5-20-12(16-10)17-21(18,19)11-4-9(15)8(14)3-7(11)13/h3-6H,15H2,1-2H3,(H,16,17)
InChIKeyRLLDZBFQKJVVKV-UHFFFAOYSA-N
MW349.84 g/mol
LogP3.44
Rot. Bonds4

About 5-amino-2-chloro-4-fluoro-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzenesulfonamide

5-amino-2-chloro-4-fluoro-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 61479389) has the molecular formula C12H13ClFN3O2S2 and a molecular weight of 349.84 g/mol. Its IUPAC name is 5-amino-2-chloro-4-fluoro-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-chloro-4-fluoro-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID61479389
Molecular FormulaC12H13ClFN3O2S2
Molecular Weight349.84 g/mol
Exact Mass349.01
IUPAC Name5-amino-2-chloro-4-fluoro-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzenesulfonamide
SMILESCC(C)c1csc(NS(=O)(=O)c2cc(N)c(F)cc2Cl)n1
InChIInChI=1S/C12H13ClFN3O2S2/c1-6(2)10-5-20-12(16-10)17-21(18,19)11-4-9(15)8(14)3-7(11)13/h3-6H,15H2,1-2H3,(H,16,17)
InChIKeyRLLDZBFQKJVVKV-UHFFFAOYSA-N
XLogP3.44
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.84
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-amino-2-chloro-4-fluoro-N-(4-propan-2-yl-1,3-thiazol-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-N-(4-propan-2-yl-1,3-thiazol-2-yl)thiophene-2-sulfonamide
CID 54958513
5-amino-2-ethyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzenesulfonamide
CID 61479670
3-amino-4-methoxy-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzenesulfonamide
CID 61479503
5-amino-2-chloro-4-fluoro-N-pyrimidin-5-ylbenzenesulfonamide
CID 107587500
5-bromo-2-hydrazinyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyridine-3-sulfonamide
CID 61480970
5-amino-2-chloro-N-(2-chlorophenyl)-4-fluorobenzenesulfonamide
CID 61110957
methyl 2-[(5-amino-2-chloro-4-fluorophenyl)sulfonylamino]propanoate
CID 61496306
5-amino-2-bromo-4-fluoro-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 62814924
4-hydroxy-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzenesulfonamide
CID 61481092
5-amino-2-chloro-4-fluoro-N-(3-methylphenyl)benzenesulfonamide
CID 61111881
5-amino-2-chloro-N-(4-chloro-3-pyridinyl)-4-fluorobenzenesulfonamide
CID 83166065
5-amino-2-chloro-N-[2-(dimethylamino)propyl]-4-fluorobenzenesulfonamide
CID 61127828

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-chloro-4-fluoro-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 5-amino-2-chloro-4-fluoro-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzenesulfonamide (CID 61479389) is 5-amino-2-chloro-4-fluoro-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 5-amino-2-chloro-4-fluoro-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 5-amino-2-chloro-4-fluoro-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzenesulfonamide is CC(C)c1csc(NS(=O)(=O)c2cc(N)c(F)cc2Cl)n1.
What is the InChIKey of 5-amino-2-chloro-4-fluoro-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is RLLDZBFQKJVVKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClFN3O2S2/c1-6(2)10-5-20-12(16-10)17-21(18,19)11-4-9(15)8(14)3-7(11)13/h3-6H,15H2,1-2H3,(H,16,17).
What are the key properties of 5-amino-2-chloro-4-fluoro-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzenesulfonamide?
5-amino-2-chloro-4-fluoro-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 349.84 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-chloro-4-fluoro-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 61479389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).