6-(trifluoromethylsulfonylamino)-1,3-benzothiazole-2-sulfonamide

C8H6F3N3O4S3 — CID 10666283

IUPAC6-(trifluoromethylsulfonylamino)-1,3-benzothiazole-2-sulfonamide
SMILESNS(=O)(=O)c1nc2ccc(NS(=O)(=O)C(F)(F)F)cc2s1
InChIInChI=1S/C8H6F3N3O4S3/c9-8(10,11)21(17,18)14-4-1-2-5-6(3-4)19-7(13-5)20(12,15)16/h1-3,14H,(H2,12,15,16)
InChIKeyAQFHRIRPLDYFGS-UHFFFAOYSA-N
MW361.35 g/mol
LogP1.21
Rot. Bonds3

About 6-(trifluoromethylsulfonylamino)-1,3-benzothiazole-2-sulfonamide

6-(trifluoromethylsulfonylamino)-1,3-benzothiazole-2-sulfonamide (PubChem CID 10666283) has the molecular formula C8H6F3N3O4S3 and a molecular weight of 361.35 g/mol. Its IUPAC name is 6-(trifluoromethylsulfonylamino)-1,3-benzothiazole-2-sulfonamide.

Molecular Properties

Compound Name6-(trifluoromethylsulfonylamino)-1,3-benzothiazole-2-sulfonamide
PubChem CID10666283
Molecular FormulaC8H6F3N3O4S3
Molecular Weight361.35 g/mol
Exact Mass360.95
IUPAC Name6-(trifluoromethylsulfonylamino)-1,3-benzothiazole-2-sulfonamide
SMILESNS(=O)(=O)c1nc2ccc(NS(=O)(=O)C(F)(F)F)cc2s1
InChIInChI=1S/C8H6F3N3O4S3/c9-8(10,11)21(17,18)14-4-1-2-5-6(3-4)19-7(13-5)20(12,15)16/h1-3,14H,(H2,12,15,16)
InChIKeyAQFHRIRPLDYFGS-UHFFFAOYSA-N
XLogP1.21
TPSA119.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.35
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(trifluoromethylsulfonylamino)-1,3-benzothiazole-2-sulfonamide?
The IUPAC name of 6-(trifluoromethylsulfonylamino)-1,3-benzothiazole-2-sulfonamide (CID 10666283) is 6-(trifluoromethylsulfonylamino)-1,3-benzothiazole-2-sulfonamide.
What is the SMILES notation for 6-(trifluoromethylsulfonylamino)-1,3-benzothiazole-2-sulfonamide?
The canonical SMILES for 6-(trifluoromethylsulfonylamino)-1,3-benzothiazole-2-sulfonamide is NS(=O)(=O)c1nc2ccc(NS(=O)(=O)C(F)(F)F)cc2s1.
What is the InChIKey of 6-(trifluoromethylsulfonylamino)-1,3-benzothiazole-2-sulfonamide?
The InChIKey is AQFHRIRPLDYFGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3N3O4S3/c9-8(10,11)21(17,18)14-4-1-2-5-6(3-4)19-7(13-5)20(12,15)16/h1-3,14H,(H2,12,15,16).
What are the key properties of 6-(trifluoromethylsulfonylamino)-1,3-benzothiazole-2-sulfonamide?
6-(trifluoromethylsulfonylamino)-1,3-benzothiazole-2-sulfonamide has a molecular weight of 361.35 g/mol, XLogP of 1.21, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethylsulfonylamino)-1,3-benzothiazole-2-sulfonamide is sourced from PubChem (CID 10666283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).