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

C11H10FN3O3S2 — CID 64557052

IUPACN-(4-acetyl-1,3-thiazol-2-yl)-3-amino-5-fluorobenzenesulfonamide
SMILESCC(=O)c1csc(NS(=O)(=O)c2cc(N)cc(F)c2)n1
InChIInChI=1S/C11H10FN3O3S2/c1-6(16)10-5-19-11(14-10)15-20(17,18)9-3-7(12)2-8(13)4-9/h2-5H,13H2,1H3,(H,14,15)
InChIKeyOEMTXINGYFOIDS-UHFFFAOYSA-N
MW315.35 g/mol
LogP1.87
Rot. Bonds4

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

N-(4-acetyl-1,3-thiazol-2-yl)-3-amino-5-fluorobenzenesulfonamide (PubChem CID 64557052) has the molecular formula C11H10FN3O3S2 and a molecular weight of 315.35 g/mol. Its IUPAC name is N-(4-acetyl-1,3-thiazol-2-yl)-3-amino-5-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(4-acetyl-1,3-thiazol-2-yl)-3-amino-5-fluorobenzenesulfonamide
PubChem CID64557052
Molecular FormulaC11H10FN3O3S2
Molecular Weight315.35 g/mol
Exact Mass315.01
IUPAC NameN-(4-acetyl-1,3-thiazol-2-yl)-3-amino-5-fluorobenzenesulfonamide
SMILESCC(=O)c1csc(NS(=O)(=O)c2cc(N)cc(F)c2)n1
InChIInChI=1S/C11H10FN3O3S2/c1-6(16)10-5-19-11(14-10)15-20(17,18)9-3-7(12)2-8(13)4-9/h2-5H,13H2,1H3,(H,14,15)
InChIKeyOEMTXINGYFOIDS-UHFFFAOYSA-N
XLogP1.87
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(4-acetyl-1,3-thiazol-2-yl)-2,5-difluorobenzenesulfonamide
CID 62998699
N-(4-acetyl-1,3-thiazol-2-yl)-3-amino-4-bromobenzenesulfonamide
CID 115329454
N-(4-acetyl-1,3-thiazol-2-yl)-4-fluoro-2-methylbenzenesulfonamide
CID 62999070
N-(4-acetyl-1,3-thiazol-2-yl)-2-amino-4,5-dimethylbenzenesulfonamide
CID 64555855
N-(4-acetyl-1,3-thiazol-2-yl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 62998514
N-(4-acetyl-1,3-thiazol-2-yl)-5-amino-4-bromo-2-methylbenzenesulfonamide
CID 114625789
N-(4-acetyl-1,3-thiazol-2-yl)-6-chloropyridine-3-sulfonamide
CID 62997780
1-[2-(propan-2-ylsulfamoylamino)-1,3-thiazol-4-yl]ethanone
CID 114808715
N-(4-acetyl-1,3-thiazol-2-yl)-1-methylsulfonylmethanesulfonamide
CID 82842542
N-(4-acetyl-1,3-thiazol-2-yl)cyclohexanesulfonamide
CID 62999802
N-(4-acetyl-1,3-thiazol-2-yl)-2,5-dibromobenzenesulfonamide
CID 63000153
1-[2-(2-methylpropylsulfamoylamino)-1,3-thiazol-4-yl]ethanone
CID 114815388

Frequently Asked Questions

What is the IUPAC name of N-(4-acetyl-1,3-thiazol-2-yl)-3-amino-5-fluorobenzenesulfonamide?
The IUPAC name of N-(4-acetyl-1,3-thiazol-2-yl)-3-amino-5-fluorobenzenesulfonamide (CID 64557052) is N-(4-acetyl-1,3-thiazol-2-yl)-3-amino-5-fluorobenzenesulfonamide.
What is the SMILES notation for N-(4-acetyl-1,3-thiazol-2-yl)-3-amino-5-fluorobenzenesulfonamide?
The canonical SMILES for N-(4-acetyl-1,3-thiazol-2-yl)-3-amino-5-fluorobenzenesulfonamide is CC(=O)c1csc(NS(=O)(=O)c2cc(N)cc(F)c2)n1.
What is the InChIKey of N-(4-acetyl-1,3-thiazol-2-yl)-3-amino-5-fluorobenzenesulfonamide?
The InChIKey is OEMTXINGYFOIDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O3S2/c1-6(16)10-5-19-11(14-10)15-20(17,18)9-3-7(12)2-8(13)4-9/h2-5H,13H2,1H3,(H,14,15).
What are the key properties of N-(4-acetyl-1,3-thiazol-2-yl)-3-amino-5-fluorobenzenesulfonamide?
N-(4-acetyl-1,3-thiazol-2-yl)-3-amino-5-fluorobenzenesulfonamide has a molecular weight of 315.35 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetyl-1,3-thiazol-2-yl)-3-amino-5-fluorobenzenesulfonamide is sourced from PubChem (CID 64557052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).