N-[6-(difluoromethylsulfanyl)-3-pyridinyl]ethanesulfonamide

C8H10F2N2O2S2 — CID 75510357

IUPACN-[6-(difluoromethylsulfanyl)-3-pyridinyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(SC(F)F)nc1
InChIInChI=1S/C8H10F2N2O2S2/c1-2-16(13,14)12-6-3-4-7(11-5-6)15-8(9)10/h3-5,8,12H,2H2,1H3
InChIKeyCUKUPTSGPDBGIO-UHFFFAOYSA-N
MW268.31 g/mol
LogP2.16
Rot. Bonds5

About N-[6-(difluoromethylsulfanyl)-3-pyridinyl]ethanesulfonamide

N-[6-(difluoromethylsulfanyl)-3-pyridinyl]ethanesulfonamide (PubChem CID 75510357) has the molecular formula C8H10F2N2O2S2 and a molecular weight of 268.31 g/mol. Its IUPAC name is N-[6-(difluoromethylsulfanyl)-3-pyridinyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[6-(difluoromethylsulfanyl)-3-pyridinyl]ethanesulfonamide
PubChem CID75510357
Molecular FormulaC8H10F2N2O2S2
Molecular Weight268.31 g/mol
Exact Mass268.02
IUPAC NameN-[6-(difluoromethylsulfanyl)-3-pyridinyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(SC(F)F)nc1
InChIInChI=1S/C8H10F2N2O2S2/c1-2-16(13,14)12-6-3-4-7(11-5-6)15-8(9)10/h3-5,8,12H,2H2,1H3
InChIKeyCUKUPTSGPDBGIO-UHFFFAOYSA-N
XLogP2.16
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[6-(difluoromethylsulfanyl)-3-pyridinyl]ethanesulfonamide?
The IUPAC name of N-[6-(difluoromethylsulfanyl)-3-pyridinyl]ethanesulfonamide (CID 75510357) is N-[6-(difluoromethylsulfanyl)-3-pyridinyl]ethanesulfonamide.
What is the SMILES notation for N-[6-(difluoromethylsulfanyl)-3-pyridinyl]ethanesulfonamide?
The canonical SMILES for N-[6-(difluoromethylsulfanyl)-3-pyridinyl]ethanesulfonamide is CCS(=O)(=O)Nc1ccc(SC(F)F)nc1.
What is the InChIKey of N-[6-(difluoromethylsulfanyl)-3-pyridinyl]ethanesulfonamide?
The InChIKey is CUKUPTSGPDBGIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2N2O2S2/c1-2-16(13,14)12-6-3-4-7(11-5-6)15-8(9)10/h3-5,8,12H,2H2,1H3.
What are the key properties of N-[6-(difluoromethylsulfanyl)-3-pyridinyl]ethanesulfonamide?
N-[6-(difluoromethylsulfanyl)-3-pyridinyl]ethanesulfonamide has a molecular weight of 268.31 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(difluoromethylsulfanyl)-3-pyridinyl]ethanesulfonamide is sourced from PubChem (CID 75510357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).