2-[2-imino-6-(trifluoromethoxy)-1,3-benzothiazol-3-yl]-N-methylethanesulfonamide

C11H12F3N3O3S2 — CID 10689538

IUPAC2-[2-imino-6-(trifluoromethoxy)-1,3-benzothiazol-3-yl]-N-methylethanesulfonamide
SMILES[H]/N=c1\sc2cc(OC(F)(F)F)ccc2n1CCS(=O)(=O)NC
InChIInChI=1S/C11H12F3N3O3S2/c1-16-22(18,19)5-4-17-8-3-2-7(20-11(12,13)14)6-9(8)21-10(17)15/h2-3,6,15-16H,4-5H2,1H3/b15-10-
InChIKeyYWWVCNQAFAHBFK-GDNBJRDFSA-N
MW355.36 g/mol
LogP1.63
Rot. Bonds5

About 2-[2-imino-6-(trifluoromethoxy)-1,3-benzothiazol-3-yl]-N-methylethanesulfonamide

2-[2-imino-6-(trifluoromethoxy)-1,3-benzothiazol-3-yl]-N-methylethanesulfonamide (PubChem CID 10689538) has the molecular formula C11H12F3N3O3S2 and a molecular weight of 355.36 g/mol. Its IUPAC name is 2-[2-imino-6-(trifluoromethoxy)-1,3-benzothiazol-3-yl]-N-methylethanesulfonamide.

Molecular Properties

Compound Name2-[2-imino-6-(trifluoromethoxy)-1,3-benzothiazol-3-yl]-N-methylethanesulfonamide
PubChem CID10689538
Molecular FormulaC11H12F3N3O3S2
Molecular Weight355.36 g/mol
Exact Mass355.03
IUPAC Name2-[2-imino-6-(trifluoromethoxy)-1,3-benzothiazol-3-yl]-N-methylethanesulfonamide
SMILES[H]/N=c1\sc2cc(OC(F)(F)F)ccc2n1CCS(=O)(=O)NC
InChIInChI=1S/C11H12F3N3O3S2/c1-16-22(18,19)5-4-17-8-3-2-7(20-11(12,13)14)6-9(8)21-10(17)15/h2-3,6,15-16H,4-5H2,1H3/b15-10-
InChIKeyYWWVCNQAFAHBFK-GDNBJRDFSA-N
XLogP1.63
TPSA84.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.36
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-imino-6-(trifluoromethoxy)-1,3-benzothiazol-3-yl]-N-methylethanesulfonamide?
The IUPAC name of 2-[2-imino-6-(trifluoromethoxy)-1,3-benzothiazol-3-yl]-N-methylethanesulfonamide (CID 10689538) is 2-[2-imino-6-(trifluoromethoxy)-1,3-benzothiazol-3-yl]-N-methylethanesulfonamide.
What is the SMILES notation for 2-[2-imino-6-(trifluoromethoxy)-1,3-benzothiazol-3-yl]-N-methylethanesulfonamide?
The canonical SMILES for 2-[2-imino-6-(trifluoromethoxy)-1,3-benzothiazol-3-yl]-N-methylethanesulfonamide is [H]/N=c1\sc2cc(OC(F)(F)F)ccc2n1CCS(=O)(=O)NC.
What is the InChIKey of 2-[2-imino-6-(trifluoromethoxy)-1,3-benzothiazol-3-yl]-N-methylethanesulfonamide?
The InChIKey is YWWVCNQAFAHBFK-GDNBJRDFSA-N. The full InChI is InChI=1S/C11H12F3N3O3S2/c1-16-22(18,19)5-4-17-8-3-2-7(20-11(12,13)14)6-9(8)21-10(17)15/h2-3,6,15-16H,4-5H2,1H3/b15-10-.
What are the key properties of 2-[2-imino-6-(trifluoromethoxy)-1,3-benzothiazol-3-yl]-N-methylethanesulfonamide?
2-[2-imino-6-(trifluoromethoxy)-1,3-benzothiazol-3-yl]-N-methylethanesulfonamide has a molecular weight of 355.36 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-imino-6-(trifluoromethoxy)-1,3-benzothiazol-3-yl]-N-methylethanesulfonamide is sourced from PubChem (CID 10689538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).