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

C13H8ClFN2O2S2 — CID 16934058

IUPAC4-chloro-N-(6-fluoro-1,3-benzothiazol-2-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1nc2ccc(F)cc2s1)c1ccc(Cl)cc1
InChIInChI=1S/C13H8ClFN2O2S2/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)
InChIKeyUCVWRECWCGUQGW-UHFFFAOYSA-N
MW342.80 g/mol
LogP3.89
Rot. Bonds3

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

4-chloro-N-(6-fluoro-1,3-benzothiazol-2-yl)benzenesulfonamide (PubChem CID 16934058) has the molecular formula C13H8ClFN2O2S2 and a molecular weight of 342.80 g/mol. Its IUPAC name is 4-chloro-N-(6-fluoro-1,3-benzothiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(6-fluoro-1,3-benzothiazol-2-yl)benzenesulfonamide
PubChem CID16934058
Molecular FormulaC13H8ClFN2O2S2
Molecular Weight342.80 g/mol
Exact Mass341.97
IUPAC Name4-chloro-N-(6-fluoro-1,3-benzothiazol-2-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1nc2ccc(F)cc2s1)c1ccc(Cl)cc1
InChIInChI=1S/C13H8ClFN2O2S2/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)
InChIKeyUCVWRECWCGUQGW-UHFFFAOYSA-N
XLogP3.89
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.80
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-(6-fluoro-1,3-benzothiazol-2-yl)benzenesulfonamide
CID 3745144
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-(5-bromo-1,3-benzothiazol-2-yl)-4-chlorobenzenesulfonamide
CID 129127454
2-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)pyrimidine-5-sulfonamide
CID 43456406
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-benzo[g][1,3]benzothiazol-2-yl-4-chlorobenzenesulfonamide
CID 16934053
N-(6-chloro-1,3-benzothiazol-2-yl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 108782569
5-chloro-N-(5-fluoro-1,3-benzothiazol-2-yl)thiophene-2-sulfonamide
CID 167944643
N-(6-fluoro-1,3-benzothiazol-2-yl)-2,5-dimethoxybenzenesulfonamide
CID 3764092

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(6-fluoro-1,3-benzothiazol-2-yl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(6-fluoro-1,3-benzothiazol-2-yl)benzenesulfonamide (CID 16934058) is 4-chloro-N-(6-fluoro-1,3-benzothiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(6-fluoro-1,3-benzothiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(6-fluoro-1,3-benzothiazol-2-yl)benzenesulfonamide is O=S(=O)(Nc1nc2ccc(F)cc2s1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(6-fluoro-1,3-benzothiazol-2-yl)benzenesulfonamide?
The InChIKey is UCVWRECWCGUQGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClFN2O2S2/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-chloro-N-(6-fluoro-1,3-benzothiazol-2-yl)benzenesulfonamide?
4-chloro-N-(6-fluoro-1,3-benzothiazol-2-yl)benzenesulfonamide has a molecular weight of 342.80 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(6-fluoro-1,3-benzothiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 16934058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).