4-fluoro-N-(6-fluoro-1,3-benzothiazol-2-yl)benzenesulfonamide

C13H8F2N2O2S2 — CID 3745144

IUPAC4-fluoro-N-(6-fluoro-1,3-benzothiazol-2-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1nc2ccc(F)cc2s1)c1ccc(F)cc1
InChIInChI=1S/C13H8F2N2O2S2/c14-8-1-4-10(5-2-8)21(18,19)17-13-16-11-6-3-9(15)7-12(11)20-13/h1-7H,(H,16,17)
InChIKeyHDTQLZJHHOSUDO-UHFFFAOYSA-N
MW326.35 g/mol
LogP3.38
Rot. Bonds3

About 4-fluoro-N-(6-fluoro-1,3-benzothiazol-2-yl)benzenesulfonamide

4-fluoro-N-(6-fluoro-1,3-benzothiazol-2-yl)benzenesulfonamide (PubChem CID 3745144) has the molecular formula C13H8F2N2O2S2 and a molecular weight of 326.35 g/mol. Its IUPAC name is 4-fluoro-N-(6-fluoro-1,3-benzothiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-(6-fluoro-1,3-benzothiazol-2-yl)benzenesulfonamide
PubChem CID3745144
Molecular FormulaC13H8F2N2O2S2
Molecular Weight326.35 g/mol
Exact Mass326.00
IUPAC Name4-fluoro-N-(6-fluoro-1,3-benzothiazol-2-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1nc2ccc(F)cc2s1)c1ccc(F)cc1
InChIInChI=1S/C13H8F2N2O2S2/c14-8-1-4-10(5-2-8)21(18,19)17-13-16-11-6-3-9(15)7-12(11)20-13/h1-7H,(H,16,17)
InChIKeyHDTQLZJHHOSUDO-UHFFFAOYSA-N
XLogP3.38
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-(6-fluoro-1,3-benzothiazol-2-yl)benzenesulfonamide
CID 16934058
N-(6-fluoro-1,3-benzothiazol-2-yl)-2,3,5,6-tetramethylbenzenesulfonamide
CID 3847622
N-(6-bromo-5-fluoro-1,3-benzothiazol-2-yl)-4-(4-fluorophenoxy)benzenesulfonamide
CID 167803711
N-(6-fluoro-1,3-benzothiazol-2-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 25048261
N-(6-bromo-1,3-benzothiazol-2-yl)-4-chlorobenzenesulfonamide
CID 16934052
N-(6-amino-1,3-benzothiazol-2-yl)-4-chlorobenzenesulfonamide
CID 28528726
N-(6-fluoro-1,3-benzothiazol-2-yl)-2,5-dimethoxybenzenesulfonamide
CID 3764092
N'-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)sulfonylacetohydrazide
CID 7600527
2-[2-[(4-fluorophenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
CID 16820720
N-[4-[(5,6-difluoro-1,3-benzothiazol-2-yl)sulfamoyl]phenyl]acetamide
CID 25041063
N-(6-methoxy-1,3-benzothiazol-2-yl)benzenesulfonamide
CID 670284
1-[2-(benzenesulfonamido)-1,3-benzothiazol-5-yl]-3-(4-fluorophenyl)urea
CID 46394211

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(6-fluoro-1,3-benzothiazol-2-yl)benzenesulfonamide?
The IUPAC name of 4-fluoro-N-(6-fluoro-1,3-benzothiazol-2-yl)benzenesulfonamide (CID 3745144) is 4-fluoro-N-(6-fluoro-1,3-benzothiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-(6-fluoro-1,3-benzothiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-(6-fluoro-1,3-benzothiazol-2-yl)benzenesulfonamide is O=S(=O)(Nc1nc2ccc(F)cc2s1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-(6-fluoro-1,3-benzothiazol-2-yl)benzenesulfonamide?
The InChIKey is HDTQLZJHHOSUDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F2N2O2S2/c14-8-1-4-10(5-2-8)21(18,19)17-13-16-11-6-3-9(15)7-12(11)20-13/h1-7H,(H,16,17).
What are the key properties of 4-fluoro-N-(6-fluoro-1,3-benzothiazol-2-yl)benzenesulfonamide?
4-fluoro-N-(6-fluoro-1,3-benzothiazol-2-yl)benzenesulfonamide has a molecular weight of 326.35 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(6-fluoro-1,3-benzothiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 3745144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).