3-[[4-(trifluoromethylsulfonylamino)phenyl]sulfonylamino]benzenesulfonamide

C13H12F3N3O6S3 — CID 10766339

IUPAC3-[[4-(trifluoromethylsulfonylamino)phenyl]sulfonylamino]benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(NS(=O)(=O)c2ccc(NS(=O)(=O)C(F)(F)F)cc2)c1
InChIInChI=1S/C13H12F3N3O6S3/c14-13(15,16)28(24,25)19-9-4-6-11(7-5-9)27(22,23)18-10-2-1-3-12(8-10)26(17,20)21/h1-8,18-19H,(H2,17,20,21)
InChIKeyUDRFOJYGIQCBTP-UHFFFAOYSA-N
MW459.45 g/mol
LogP1.40
Rot. Bonds6

About 3-[[4-(trifluoromethylsulfonylamino)phenyl]sulfonylamino]benzenesulfonamide

3-[[4-(trifluoromethylsulfonylamino)phenyl]sulfonylamino]benzenesulfonamide (PubChem CID 10766339) has the molecular formula C13H12F3N3O6S3 and a molecular weight of 459.45 g/mol. Its IUPAC name is 3-[[4-(trifluoromethylsulfonylamino)phenyl]sulfonylamino]benzenesulfonamide.

Molecular Properties

Compound Name3-[[4-(trifluoromethylsulfonylamino)phenyl]sulfonylamino]benzenesulfonamide
PubChem CID10766339
Molecular FormulaC13H12F3N3O6S3
Molecular Weight459.45 g/mol
Exact Mass458.98
IUPAC Name3-[[4-(trifluoromethylsulfonylamino)phenyl]sulfonylamino]benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(NS(=O)(=O)c2ccc(NS(=O)(=O)C(F)(F)F)cc2)c1
InChIInChI=1S/C13H12F3N3O6S3/c14-13(15,16)28(24,25)19-9-4-6-11(7-5-9)27(22,23)18-10-2-1-3-12(8-10)26(17,20)21/h1-8,18-19H,(H2,17,20,21)
InChIKeyUDRFOJYGIQCBTP-UHFFFAOYSA-N
XLogP1.40
TPSA152.50 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.45
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(trifluoromethylsulfonylamino)phenyl]sulfonylamino]benzenesulfonamide?
The IUPAC name of 3-[[4-(trifluoromethylsulfonylamino)phenyl]sulfonylamino]benzenesulfonamide (CID 10766339) is 3-[[4-(trifluoromethylsulfonylamino)phenyl]sulfonylamino]benzenesulfonamide.
What is the SMILES notation for 3-[[4-(trifluoromethylsulfonylamino)phenyl]sulfonylamino]benzenesulfonamide?
The canonical SMILES for 3-[[4-(trifluoromethylsulfonylamino)phenyl]sulfonylamino]benzenesulfonamide is NS(=O)(=O)c1cccc(NS(=O)(=O)c2ccc(NS(=O)(=O)C(F)(F)F)cc2)c1.
What is the InChIKey of 3-[[4-(trifluoromethylsulfonylamino)phenyl]sulfonylamino]benzenesulfonamide?
The InChIKey is UDRFOJYGIQCBTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3O6S3/c14-13(15,16)28(24,25)19-9-4-6-11(7-5-9)27(22,23)18-10-2-1-3-12(8-10)26(17,20)21/h1-8,18-19H,(H2,17,20,21).
What are the key properties of 3-[[4-(trifluoromethylsulfonylamino)phenyl]sulfonylamino]benzenesulfonamide?
3-[[4-(trifluoromethylsulfonylamino)phenyl]sulfonylamino]benzenesulfonamide has a molecular weight of 459.45 g/mol, XLogP of 1.40, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(trifluoromethylsulfonylamino)phenyl]sulfonylamino]benzenesulfonamide is sourced from PubChem (CID 10766339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).