2-fluoro-N-(2-methyl-1,3-benzothiazol-5-yl)benzenesulfonamide

C14H11FN2O2S2 — CID 888854

IUPAC2-fluoro-N-(2-methyl-1,3-benzothiazol-5-yl)benzenesulfonamide
SMILESCc1nc2cc(NS(=O)(=O)c3ccccc3F)ccc2s1
InChIInChI=1S/C14H11FN2O2S2/c1-9-16-12-8-10(6-7-13(12)20-9)17-21(18,19)14-5-3-2-4-11(14)15/h2-8,17H,1H3
InChIKeyNQMGWYRDYLVHGK-UHFFFAOYSA-N
MW322.39 g/mol
LogP3.54
Rot. Bonds3

About 2-fluoro-N-(2-methyl-1,3-benzothiazol-5-yl)benzenesulfonamide

2-fluoro-N-(2-methyl-1,3-benzothiazol-5-yl)benzenesulfonamide (PubChem CID 888854) has the molecular formula C14H11FN2O2S2 and a molecular weight of 322.39 g/mol. Its IUPAC name is 2-fluoro-N-(2-methyl-1,3-benzothiazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-(2-methyl-1,3-benzothiazol-5-yl)benzenesulfonamide
PubChem CID888854
Molecular FormulaC14H11FN2O2S2
Molecular Weight322.39 g/mol
Exact Mass322.02
IUPAC Name2-fluoro-N-(2-methyl-1,3-benzothiazol-5-yl)benzenesulfonamide
SMILESCc1nc2cc(NS(=O)(=O)c3ccccc3F)ccc2s1
InChIInChI=1S/C14H11FN2O2S2/c1-9-16-12-8-10(6-7-13(12)20-9)17-21(18,19)14-5-3-2-4-11(14)15/h2-8,17H,1H3
InChIKeyNQMGWYRDYLVHGK-UHFFFAOYSA-N
XLogP3.54
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(2-methyl-1,3-benzothiazol-5-yl)benzenesulfonamide?
The IUPAC name of 2-fluoro-N-(2-methyl-1,3-benzothiazol-5-yl)benzenesulfonamide (CID 888854) is 2-fluoro-N-(2-methyl-1,3-benzothiazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-(2-methyl-1,3-benzothiazol-5-yl)benzenesulfonamide?
The canonical SMILES for 2-fluoro-N-(2-methyl-1,3-benzothiazol-5-yl)benzenesulfonamide is Cc1nc2cc(NS(=O)(=O)c3ccccc3F)ccc2s1.
What is the InChIKey of 2-fluoro-N-(2-methyl-1,3-benzothiazol-5-yl)benzenesulfonamide?
The InChIKey is NQMGWYRDYLVHGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O2S2/c1-9-16-12-8-10(6-7-13(12)20-9)17-21(18,19)14-5-3-2-4-11(14)15/h2-8,17H,1H3.
What are the key properties of 2-fluoro-N-(2-methyl-1,3-benzothiazol-5-yl)benzenesulfonamide?
2-fluoro-N-(2-methyl-1,3-benzothiazol-5-yl)benzenesulfonamide has a molecular weight of 322.39 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(2-methyl-1,3-benzothiazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 888854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).