N-(5-bromo-1,3-thiazol-2-yl)-1,1-difluoromethanesulfonamide

C4H3BrF2N2O2S2 — CID 60785601

IUPACN-(5-bromo-1,3-thiazol-2-yl)-1,1-difluoromethanesulfonamide
SMILESO=S(=O)(Nc1ncc(Br)s1)C(F)F
InChIInChI=1S/C4H3BrF2N2O2S2/c5-2-1-8-4(12-2)9-13(10,11)3(6)7/h1,3H,(H,8,9)
InChIKeyDAXDAXKIZAZFGG-UHFFFAOYSA-N
MW293.11 g/mol
LogP1.87
Rot. Bonds3

About N-(5-bromo-1,3-thiazol-2-yl)-1,1-difluoromethanesulfonamide

N-(5-bromo-1,3-thiazol-2-yl)-1,1-difluoromethanesulfonamide (PubChem CID 60785601) has the molecular formula C4H3BrF2N2O2S2 and a molecular weight of 293.11 g/mol. Its IUPAC name is N-(5-bromo-1,3-thiazol-2-yl)-1,1-difluoromethanesulfonamide.

Molecular Properties

Compound NameN-(5-bromo-1,3-thiazol-2-yl)-1,1-difluoromethanesulfonamide
PubChem CID60785601
Molecular FormulaC4H3BrF2N2O2S2
Molecular Weight293.11 g/mol
Exact Mass291.88
IUPAC NameN-(5-bromo-1,3-thiazol-2-yl)-1,1-difluoromethanesulfonamide
SMILESO=S(=O)(Nc1ncc(Br)s1)C(F)F
InChIInChI=1S/C4H3BrF2N2O2S2/c5-2-1-8-4(12-2)9-13(10,11)3(6)7/h1,3H,(H,8,9)
InChIKeyDAXDAXKIZAZFGG-UHFFFAOYSA-N
XLogP1.87
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.11
LogP ≤ 51.87
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)-1,1-difluoromethanesulfonamide?
The IUPAC name of N-(5-bromo-1,3-thiazol-2-yl)-1,1-difluoromethanesulfonamide (CID 60785601) is N-(5-bromo-1,3-thiazol-2-yl)-1,1-difluoromethanesulfonamide.
What is the SMILES notation for N-(5-bromo-1,3-thiazol-2-yl)-1,1-difluoromethanesulfonamide?
The canonical SMILES for N-(5-bromo-1,3-thiazol-2-yl)-1,1-difluoromethanesulfonamide is O=S(=O)(Nc1ncc(Br)s1)C(F)F.
What is the InChIKey of N-(5-bromo-1,3-thiazol-2-yl)-1,1-difluoromethanesulfonamide?
The InChIKey is DAXDAXKIZAZFGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3BrF2N2O2S2/c5-2-1-8-4(12-2)9-13(10,11)3(6)7/h1,3H,(H,8,9).
What are the key properties of N-(5-bromo-1,3-thiazol-2-yl)-1,1-difluoromethanesulfonamide?
N-(5-bromo-1,3-thiazol-2-yl)-1,1-difluoromethanesulfonamide has a molecular weight of 293.11 g/mol, XLogP of 1.87, 3 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)-1,1-difluoromethanesulfonamide is sourced from PubChem (CID 60785601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).