N-(5-bromo-1,3-thiazol-2-yl)-4,4,4-trifluorobutane-1-sulfonamide

C7H8BrF3N2O2S2 — CID 83060119

IUPACN-(5-bromo-1,3-thiazol-2-yl)-4,4,4-trifluorobutane-1-sulfonamide
SMILESO=S(=O)(CCCC(F)(F)F)Nc1ncc(Br)s1
InChIInChI=1S/C7H8BrF3N2O2S2/c8-5-4-12-6(16-5)13-17(14,15)3-1-2-7(9,10)11/h4H,1-3H2,(H,12,13)
InChIKeyPPFXTOOLHLPLIU-UHFFFAOYSA-N
MW353.19 g/mol
LogP2.99
Rot. Bonds5

About N-(5-bromo-1,3-thiazol-2-yl)-4,4,4-trifluorobutane-1-sulfonamide

N-(5-bromo-1,3-thiazol-2-yl)-4,4,4-trifluorobutane-1-sulfonamide (PubChem CID 83060119) has the molecular formula C7H8BrF3N2O2S2 and a molecular weight of 353.19 g/mol. Its IUPAC name is N-(5-bromo-1,3-thiazol-2-yl)-4,4,4-trifluorobutane-1-sulfonamide.

Molecular Properties

Compound NameN-(5-bromo-1,3-thiazol-2-yl)-4,4,4-trifluorobutane-1-sulfonamide
PubChem CID83060119
Molecular FormulaC7H8BrF3N2O2S2
Molecular Weight353.19 g/mol
Exact Mass351.92
IUPAC NameN-(5-bromo-1,3-thiazol-2-yl)-4,4,4-trifluorobutane-1-sulfonamide
SMILESO=S(=O)(CCCC(F)(F)F)Nc1ncc(Br)s1
InChIInChI=1S/C7H8BrF3N2O2S2/c8-5-4-12-6(16-5)13-17(14,15)3-1-2-7(9,10)11/h4H,1-3H2,(H,12,13)
InChIKeyPPFXTOOLHLPLIU-UHFFFAOYSA-N
XLogP2.99
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.19
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-1,3-thiazol-2-yl)-4,4,4-trifluorobutane-1-sulfonamide?
The IUPAC name of N-(5-bromo-1,3-thiazol-2-yl)-4,4,4-trifluorobutane-1-sulfonamide (CID 83060119) is N-(5-bromo-1,3-thiazol-2-yl)-4,4,4-trifluorobutane-1-sulfonamide.
What is the SMILES notation for N-(5-bromo-1,3-thiazol-2-yl)-4,4,4-trifluorobutane-1-sulfonamide?
The canonical SMILES for N-(5-bromo-1,3-thiazol-2-yl)-4,4,4-trifluorobutane-1-sulfonamide is O=S(=O)(CCCC(F)(F)F)Nc1ncc(Br)s1.
What is the InChIKey of N-(5-bromo-1,3-thiazol-2-yl)-4,4,4-trifluorobutane-1-sulfonamide?
The InChIKey is PPFXTOOLHLPLIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrF3N2O2S2/c8-5-4-12-6(16-5)13-17(14,15)3-1-2-7(9,10)11/h4H,1-3H2,(H,12,13).
What are the key properties of N-(5-bromo-1,3-thiazol-2-yl)-4,4,4-trifluorobutane-1-sulfonamide?
N-(5-bromo-1,3-thiazol-2-yl)-4,4,4-trifluorobutane-1-sulfonamide has a molecular weight of 353.19 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-1,3-thiazol-2-yl)-4,4,4-trifluorobutane-1-sulfonamide is sourced from PubChem (CID 83060119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).