N-(1,3-benzothiazol-2-yl)-2,5-difluorobenzenesulfonamide

C13H8F2N2O2S2 — CID 6465603

IUPACN-(1,3-benzothiazol-2-yl)-2,5-difluorobenzenesulfonamide
SMILESO=S(=O)(Nc1nc2ccccc2s1)c1cc(F)ccc1F
InChIInChI=1S/C13H8F2N2O2S2/c14-8-5-6-9(15)12(7-8)21(18,19)17-13-16-10-3-1-2-4-11(10)20-13/h1-7H,(H,16,17)
InChIKeyBHCJOUWRPOQYOF-UHFFFAOYSA-N
MW326.35 g/mol
LogP3.38
Rot. Bonds3

About N-(1,3-benzothiazol-2-yl)-2,5-difluorobenzenesulfonamide

N-(1,3-benzothiazol-2-yl)-2,5-difluorobenzenesulfonamide (PubChem CID 6465603) has the molecular formula C13H8F2N2O2S2 and a molecular weight of 326.35 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-2,5-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-2,5-difluorobenzenesulfonamide
PubChem CID6465603
Molecular FormulaC13H8F2N2O2S2
Molecular Weight326.35 g/mol
Exact Mass326.00
IUPAC NameN-(1,3-benzothiazol-2-yl)-2,5-difluorobenzenesulfonamide
SMILESO=S(=O)(Nc1nc2ccccc2s1)c1cc(F)ccc1F
InChIInChI=1S/C13H8F2N2O2S2/c14-8-5-6-9(15)12(7-8)21(18,19)17-13-16-10-3-1-2-4-11(10)20-13/h1-7H,(H,16,17)
InChIKeyBHCJOUWRPOQYOF-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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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-2,5-difluorobenzenesulfonamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-2,5-difluorobenzenesulfonamide (CID 6465603) is N-(1,3-benzothiazol-2-yl)-2,5-difluorobenzenesulfonamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-2,5-difluorobenzenesulfonamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-2,5-difluorobenzenesulfonamide is O=S(=O)(Nc1nc2ccccc2s1)c1cc(F)ccc1F.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-2,5-difluorobenzenesulfonamide?
The InChIKey is BHCJOUWRPOQYOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F2N2O2S2/c14-8-5-6-9(15)12(7-8)21(18,19)17-13-16-10-3-1-2-4-11(10)20-13/h1-7H,(H,16,17).
What are the key properties of N-(1,3-benzothiazol-2-yl)-2,5-difluorobenzenesulfonamide?
N-(1,3-benzothiazol-2-yl)-2,5-difluorobenzenesulfonamide 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 N-(1,3-benzothiazol-2-yl)-2,5-difluorobenzenesulfonamide is sourced from PubChem (CID 6465603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).