2-(difluoromethyl)-1,3-thiazole-5-sulfonamide

C4H4F2N2O2S2 — CID 146571332

IUPAC2-(difluoromethyl)-1,3-thiazole-5-sulfonamide
SMILESNS(=O)(=O)c1cnc(C(F)F)s1
InChIInChI=1S/C4H4F2N2O2S2/c5-3(6)4-8-1-2(11-4)12(7,9)10/h1,3H,(H2,7,9,10)
InChIKeyZALBOZSFCPHGGT-UHFFFAOYSA-N
MW214.22 g/mol
LogP0.73
Rot. Bonds2

About 2-(difluoromethyl)-1,3-thiazole-5-sulfonamide

2-(difluoromethyl)-1,3-thiazole-5-sulfonamide (PubChem CID 146571332) has the molecular formula C4H4F2N2O2S2 and a molecular weight of 214.22 g/mol. Its IUPAC name is 2-(difluoromethyl)-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-(difluoromethyl)-1,3-thiazole-5-sulfonamide
PubChem CID146571332
Molecular FormulaC4H4F2N2O2S2
Molecular Weight214.22 g/mol
Exact Mass213.97
IUPAC Name2-(difluoromethyl)-1,3-thiazole-5-sulfonamide
SMILESNS(=O)(=O)c1cnc(C(F)F)s1
InChIInChI=1S/C4H4F2N2O2S2/c5-3(6)4-8-1-2(11-4)12(7,9)10/h1,3H,(H2,7,9,10)
InChIKeyZALBOZSFCPHGGT-UHFFFAOYSA-N
XLogP0.73
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-(difluoromethyl)-1,3-thiazole-5-sulfonamide (CID 146571332) is 2-(difluoromethyl)-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-(difluoromethyl)-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-(difluoromethyl)-1,3-thiazole-5-sulfonamide is NS(=O)(=O)c1cnc(C(F)F)s1.
What is the InChIKey of 2-(difluoromethyl)-1,3-thiazole-5-sulfonamide?
The InChIKey is ZALBOZSFCPHGGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F2N2O2S2/c5-3(6)4-8-1-2(11-4)12(7,9)10/h1,3H,(H2,7,9,10).
What are the key properties of 2-(difluoromethyl)-1,3-thiazole-5-sulfonamide?
2-(difluoromethyl)-1,3-thiazole-5-sulfonamide has a molecular weight of 214.22 g/mol, XLogP of 0.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 146571332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).