5-amino-3-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-fluorobenzenesulfonamide

C11H11ClFN3O2S2 — CID 61464277

IUPAC5-amino-3-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-fluorobenzenesulfonamide
SMILESCc1nc(NS(=O)(=O)c2cc(N)cc(Cl)c2F)sc1C
InChIInChI=1S/C11H11ClFN3O2S2/c1-5-6(2)19-11(15-5)16-20(17,18)9-4-7(14)3-8(12)10(9)13/h3-4H,14H2,1-2H3,(H,15,16)
InChIKeyCLKHPWSRIUFIHJ-UHFFFAOYSA-N
MW335.81 g/mol
LogP2.94
Rot. Bonds3

About 5-amino-3-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-fluorobenzenesulfonamide

5-amino-3-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-fluorobenzenesulfonamide (PubChem CID 61464277) has the molecular formula C11H11ClFN3O2S2 and a molecular weight of 335.81 g/mol. Its IUPAC name is 5-amino-3-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-fluorobenzenesulfonamide.

Molecular Properties

Compound Name5-amino-3-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-fluorobenzenesulfonamide
PubChem CID61464277
Molecular FormulaC11H11ClFN3O2S2
Molecular Weight335.81 g/mol
Exact Mass335.00
IUPAC Name5-amino-3-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-fluorobenzenesulfonamide
SMILESCc1nc(NS(=O)(=O)c2cc(N)cc(Cl)c2F)sc1C
InChIInChI=1S/C11H11ClFN3O2S2/c1-5-6(2)19-11(15-5)16-20(17,18)9-4-7(14)3-8(12)10(9)13/h3-4H,14H2,1-2H3,(H,15,16)
InChIKeyCLKHPWSRIUFIHJ-UHFFFAOYSA-N
XLogP2.94
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.81
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 61463931
5-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,3-dimethylbenzenesulfonamide
CID 61464070
5-amino-3-chloro-2-fluoro-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 43257519
5-amino-3-chloro-N-(3-chloro-4-methylphenyl)-2-fluorobenzenesulfonamide
CID 43258123
5-amino-3-chloro-N-(3-chloro-2-methylphenyl)-2-fluorobenzenesulfonamide
CID 43258199
5-amino-2-chloro-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 61471894
5-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1H-indole-3-sulfonamide
CID 64851872
5-amino-3-chloro-2-fluoro-N-(1,2-oxazol-4-yl)benzenesulfonamide
CID 62903482
5-amino-3-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-fluorobenzenesulfonamide
CID 115989061
3-chloro-2-cyano-N-(4,5-dimethyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 75420865
5-amino-3-chloro-2-fluoro-N-(1-methyl-6-oxo-3-pyridinyl)benzenesulfonamide
CID 61125327
4-[(4,5-dimethyl-1,3-thiazol-2-yl)sulfamoyl]-3-fluorobenzoic acid
CID 79177691

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-fluorobenzenesulfonamide?
The IUPAC name of 5-amino-3-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-fluorobenzenesulfonamide (CID 61464277) is 5-amino-3-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-fluorobenzenesulfonamide.
What is the SMILES notation for 5-amino-3-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-fluorobenzenesulfonamide?
The canonical SMILES for 5-amino-3-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-fluorobenzenesulfonamide is Cc1nc(NS(=O)(=O)c2cc(N)cc(Cl)c2F)sc1C.
What is the InChIKey of 5-amino-3-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-fluorobenzenesulfonamide?
The InChIKey is CLKHPWSRIUFIHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFN3O2S2/c1-5-6(2)19-11(15-5)16-20(17,18)9-4-7(14)3-8(12)10(9)13/h3-4H,14H2,1-2H3,(H,15,16).
What are the key properties of 5-amino-3-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-fluorobenzenesulfonamide?
5-amino-3-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-fluorobenzenesulfonamide has a molecular weight of 335.81 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-fluorobenzenesulfonamide is sourced from PubChem (CID 61464277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).