4-methyl-2-(4,4,4-trifluorobutylsulfonylamino)-1,3-thiazole-5-sulfonamide

C8H12F3N3O4S3 — CID 83047388

IUPAC4-methyl-2-(4,4,4-trifluorobutylsulfonylamino)-1,3-thiazole-5-sulfonamide
SMILESCc1nc(NS(=O)(=O)CCCC(F)(F)F)sc1S(N)(=O)=O
InChIInChI=1S/C8H12F3N3O4S3/c1-5-6(21(12,17)18)19-7(13-5)14-20(15,16)4-2-3-8(9,10)11/h2-4H2,1H3,(H,13,14)(H2,12,17,18)
InChIKeyXSNAEGNJDCKQCB-UHFFFAOYSA-N
MW367.40 g/mol
LogP1.18
Rot. Bonds6

About 4-methyl-2-(4,4,4-trifluorobutylsulfonylamino)-1,3-thiazole-5-sulfonamide

4-methyl-2-(4,4,4-trifluorobutylsulfonylamino)-1,3-thiazole-5-sulfonamide (PubChem CID 83047388) has the molecular formula C8H12F3N3O4S3 and a molecular weight of 367.40 g/mol. Its IUPAC name is 4-methyl-2-(4,4,4-trifluorobutylsulfonylamino)-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name4-methyl-2-(4,4,4-trifluorobutylsulfonylamino)-1,3-thiazole-5-sulfonamide
PubChem CID83047388
Molecular FormulaC8H12F3N3O4S3
Molecular Weight367.40 g/mol
Exact Mass366.99
IUPAC Name4-methyl-2-(4,4,4-trifluorobutylsulfonylamino)-1,3-thiazole-5-sulfonamide
SMILESCc1nc(NS(=O)(=O)CCCC(F)(F)F)sc1S(N)(=O)=O
InChIInChI=1S/C8H12F3N3O4S3/c1-5-6(21(12,17)18)19-7(13-5)14-20(15,16)4-2-3-8(9,10)11/h2-4H2,1H3,(H,13,14)(H2,12,17,18)
InChIKeyXSNAEGNJDCKQCB-UHFFFAOYSA-N
XLogP1.18
TPSA119.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.40
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(4,4,4-trifluorobutylsulfonylamino)-1,3-thiazole-5-sulfonamide?
The IUPAC name of 4-methyl-2-(4,4,4-trifluorobutylsulfonylamino)-1,3-thiazole-5-sulfonamide (CID 83047388) is 4-methyl-2-(4,4,4-trifluorobutylsulfonylamino)-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 4-methyl-2-(4,4,4-trifluorobutylsulfonylamino)-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 4-methyl-2-(4,4,4-trifluorobutylsulfonylamino)-1,3-thiazole-5-sulfonamide is Cc1nc(NS(=O)(=O)CCCC(F)(F)F)sc1S(N)(=O)=O.
What is the InChIKey of 4-methyl-2-(4,4,4-trifluorobutylsulfonylamino)-1,3-thiazole-5-sulfonamide?
The InChIKey is XSNAEGNJDCKQCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3O4S3/c1-5-6(21(12,17)18)19-7(13-5)14-20(15,16)4-2-3-8(9,10)11/h2-4H2,1H3,(H,13,14)(H2,12,17,18).
What are the key properties of 4-methyl-2-(4,4,4-trifluorobutylsulfonylamino)-1,3-thiazole-5-sulfonamide?
4-methyl-2-(4,4,4-trifluorobutylsulfonylamino)-1,3-thiazole-5-sulfonamide has a molecular weight of 367.40 g/mol, XLogP of 1.18, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(4,4,4-trifluorobutylsulfonylamino)-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 83047388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).