2,6-difluoro-N-(2-methyl-1,3-benzothiazol-6-yl)benzenesulfonamide

C14H10F2N2O2S2 — CID 8603518

IUPAC2,6-difluoro-N-(2-methyl-1,3-benzothiazol-6-yl)benzenesulfonamide
SMILESCc1nc2ccc(NS(=O)(=O)c3c(F)cccc3F)cc2s1
InChIInChI=1S/C14H10F2N2O2S2/c1-8-17-12-6-5-9(7-13(12)21-8)18-22(19,20)14-10(15)3-2-4-11(14)16/h2-7,18H,1H3
InChIKeyZLFPLYKOVQHWGF-UHFFFAOYSA-N
MW340.38 g/mol
LogP3.68
Rot. Bonds3

About 2,6-difluoro-N-(2-methyl-1,3-benzothiazol-6-yl)benzenesulfonamide

2,6-difluoro-N-(2-methyl-1,3-benzothiazol-6-yl)benzenesulfonamide (PubChem CID 8603518) has the molecular formula C14H10F2N2O2S2 and a molecular weight of 340.38 g/mol. Its IUPAC name is 2,6-difluoro-N-(2-methyl-1,3-benzothiazol-6-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,6-difluoro-N-(2-methyl-1,3-benzothiazol-6-yl)benzenesulfonamide
PubChem CID8603518
Molecular FormulaC14H10F2N2O2S2
Molecular Weight340.38 g/mol
Exact Mass340.02
IUPAC Name2,6-difluoro-N-(2-methyl-1,3-benzothiazol-6-yl)benzenesulfonamide
SMILESCc1nc2ccc(NS(=O)(=O)c3c(F)cccc3F)cc2s1
InChIInChI=1S/C14H10F2N2O2S2/c1-8-17-12-6-5-9(7-13(12)21-8)18-22(19,20)14-10(15)3-2-4-11(14)16/h2-7,18H,1H3
InChIKeyZLFPLYKOVQHWGF-UHFFFAOYSA-N
XLogP3.68
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-(2-methyl-1,3-benzothiazol-6-yl)benzenesulfonamide?
The IUPAC name of 2,6-difluoro-N-(2-methyl-1,3-benzothiazol-6-yl)benzenesulfonamide (CID 8603518) is 2,6-difluoro-N-(2-methyl-1,3-benzothiazol-6-yl)benzenesulfonamide.
What is the SMILES notation for 2,6-difluoro-N-(2-methyl-1,3-benzothiazol-6-yl)benzenesulfonamide?
The canonical SMILES for 2,6-difluoro-N-(2-methyl-1,3-benzothiazol-6-yl)benzenesulfonamide is Cc1nc2ccc(NS(=O)(=O)c3c(F)cccc3F)cc2s1.
What is the InChIKey of 2,6-difluoro-N-(2-methyl-1,3-benzothiazol-6-yl)benzenesulfonamide?
The InChIKey is ZLFPLYKOVQHWGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2N2O2S2/c1-8-17-12-6-5-9(7-13(12)21-8)18-22(19,20)14-10(15)3-2-4-11(14)16/h2-7,18H,1H3.
What are the key properties of 2,6-difluoro-N-(2-methyl-1,3-benzothiazol-6-yl)benzenesulfonamide?
2,6-difluoro-N-(2-methyl-1,3-benzothiazol-6-yl)benzenesulfonamide has a molecular weight of 340.38 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-(2-methyl-1,3-benzothiazol-6-yl)benzenesulfonamide is sourced from PubChem (CID 8603518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).