N-(6-amino-1,3-benzothiazol-2-yl)-3-fluoropyridine-2-sulfonamide

C12H9FN4O2S2 — CID 103298546

IUPACN-(6-amino-1,3-benzothiazol-2-yl)-3-fluoropyridine-2-sulfonamide
SMILESNc1ccc2nc(NS(=O)(=O)c3ncccc3F)sc2c1
InChIInChI=1S/C12H9FN4O2S2/c13-8-2-1-5-15-11(8)21(18,19)17-12-16-9-4-3-7(14)6-10(9)20-12/h1-6H,14H2,(H,16,17)
InChIKeyLTWBTGZLLZQJTN-UHFFFAOYSA-N
MW324.36 g/mol
LogP2.21
Rot. Bonds3

About N-(6-amino-1,3-benzothiazol-2-yl)-3-fluoropyridine-2-sulfonamide

N-(6-amino-1,3-benzothiazol-2-yl)-3-fluoropyridine-2-sulfonamide (PubChem CID 103298546) has the molecular formula C12H9FN4O2S2 and a molecular weight of 324.36 g/mol. Its IUPAC name is N-(6-amino-1,3-benzothiazol-2-yl)-3-fluoropyridine-2-sulfonamide.

Molecular Properties

Compound NameN-(6-amino-1,3-benzothiazol-2-yl)-3-fluoropyridine-2-sulfonamide
PubChem CID103298546
Molecular FormulaC12H9FN4O2S2
Molecular Weight324.36 g/mol
Exact Mass324.02
IUPAC NameN-(6-amino-1,3-benzothiazol-2-yl)-3-fluoropyridine-2-sulfonamide
SMILESNc1ccc2nc(NS(=O)(=O)c3ncccc3F)sc2c1
InChIInChI=1S/C12H9FN4O2S2/c13-8-2-1-5-15-11(8)21(18,19)17-12-16-9-4-3-7(14)6-10(9)20-12/h1-6H,14H2,(H,16,17)
InChIKeyLTWBTGZLLZQJTN-UHFFFAOYSA-N
XLogP2.21
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 52.21
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-(6-amino-1,3-benzothiazol-2-yl)-4-chlorobenzenesulfonamide
CID 28528726
N-(6-amino-1,3-benzothiazol-2-yl)-2-chlorobenzenesulfonamide
CID 28970981
N-(4-amino-2,6-dimethylphenyl)-3-fluoropyridine-2-sulfonamide
CID 103298617
5-amino-2-[(3-fluoro-2-pyridinyl)sulfonylamino]benzoic acid
CID 103298604
N-(5-amino-2,4-difluorophenyl)-3-fluoropyridine-2-sulfonamide
CID 103298579
2-N-(cyclopropylsulfamoyl)-1,3-benzothiazole-2,6-diamine
CID 114804253
2-N-quinolin-8-yl-1,3-benzothiazole-2,6-diamine
CID 63230957
N-(3,4-dichlorophenyl)-3-fluoropyridine-2-sulfonamide
CID 103299127
4-fluoro-N-(6-fluoro-1,3-benzothiazol-2-yl)benzenesulfonamide
CID 3745144
3-fluoro-N-(2-fluorophenyl)pyridine-2-sulfonamide
CID 103299037
3-[(3-fluoro-2-pyridinyl)sulfonylamino]benzenecarbothioamide
CID 103300636
2-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-3-sulfonamide
CID 43415015

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1,3-benzothiazol-2-yl)-3-fluoropyridine-2-sulfonamide?
The IUPAC name of N-(6-amino-1,3-benzothiazol-2-yl)-3-fluoropyridine-2-sulfonamide (CID 103298546) is N-(6-amino-1,3-benzothiazol-2-yl)-3-fluoropyridine-2-sulfonamide.
What is the SMILES notation for N-(6-amino-1,3-benzothiazol-2-yl)-3-fluoropyridine-2-sulfonamide?
The canonical SMILES for N-(6-amino-1,3-benzothiazol-2-yl)-3-fluoropyridine-2-sulfonamide is Nc1ccc2nc(NS(=O)(=O)c3ncccc3F)sc2c1.
What is the InChIKey of N-(6-amino-1,3-benzothiazol-2-yl)-3-fluoropyridine-2-sulfonamide?
The InChIKey is LTWBTGZLLZQJTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN4O2S2/c13-8-2-1-5-15-11(8)21(18,19)17-12-16-9-4-3-7(14)6-10(9)20-12/h1-6H,14H2,(H,16,17).
What are the key properties of N-(6-amino-1,3-benzothiazol-2-yl)-3-fluoropyridine-2-sulfonamide?
N-(6-amino-1,3-benzothiazol-2-yl)-3-fluoropyridine-2-sulfonamide has a molecular weight of 324.36 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1,3-benzothiazol-2-yl)-3-fluoropyridine-2-sulfonamide is sourced from PubChem (CID 103298546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).