(2,2-difluoro-1-piperidin-1-ylsulfonylethenyl)sulfonyl-methylsulfonylazanide

C8H13F2N2O6S3- — CID 58571476

IUPAC(2,2-difluoro-1-piperidin-1-ylsulfonylethenyl)sulfonyl-methylsulfonylazanide
SMILESCS(=O)(=O)[N-]S(=O)(=O)C(=C(F)F)S(=O)(=O)N1CCCCC1
InChIInChI=1S/C8H13F2N2O6S3/c1-19(13,14)11-20(15,16)8(7(9)10)21(17,18)12-5-3-2-4-6-12/h2-6H2,1H3/q-1
InChIKeyOPVBXKUQEIPAOC-UHFFFAOYSA-N
MW367.40 g/mol
LogP0.53
Rot. Bonds5

About (2,2-difluoro-1-piperidin-1-ylsulfonylethenyl)sulfonyl-methylsulfonylazanide

(2,2-difluoro-1-piperidin-1-ylsulfonylethenyl)sulfonyl-methylsulfonylazanide (PubChem CID 58571476) has the molecular formula C8H13F2N2O6S3- and a molecular weight of 367.40 g/mol. Its IUPAC name is (2,2-difluoro-1-piperidin-1-ylsulfonylethenyl)sulfonyl-methylsulfonylazanide.

Molecular Properties

Compound Name(2,2-difluoro-1-piperidin-1-ylsulfonylethenyl)sulfonyl-methylsulfonylazanide
PubChem CID58571476
Molecular FormulaC8H13F2N2O6S3-
Molecular Weight367.40 g/mol
Exact Mass366.99
IUPAC Name(2,2-difluoro-1-piperidin-1-ylsulfonylethenyl)sulfonyl-methylsulfonylazanide
SMILESCS(=O)(=O)[N-]S(=O)(=O)C(=C(F)F)S(=O)(=O)N1CCCCC1
InChIInChI=1S/C8H13F2N2O6S3/c1-19(13,14)11-20(15,16)8(7(9)10)21(17,18)12-5-3-2-4-6-12/h2-6H2,1H3/q-1
InChIKeyOPVBXKUQEIPAOC-UHFFFAOYSA-N
XLogP0.53
TPSA119.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.40
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2,2-difluoro-1-piperidin-1-ylsulfonylethenyl)sulfonyl-methylsulfonylazanide?
The IUPAC name of (2,2-difluoro-1-piperidin-1-ylsulfonylethenyl)sulfonyl-methylsulfonylazanide (CID 58571476) is (2,2-difluoro-1-piperidin-1-ylsulfonylethenyl)sulfonyl-methylsulfonylazanide.
What is the SMILES notation for (2,2-difluoro-1-piperidin-1-ylsulfonylethenyl)sulfonyl-methylsulfonylazanide?
The canonical SMILES for (2,2-difluoro-1-piperidin-1-ylsulfonylethenyl)sulfonyl-methylsulfonylazanide is CS(=O)(=O)[N-]S(=O)(=O)C(=C(F)F)S(=O)(=O)N1CCCCC1.
What is the InChIKey of (2,2-difluoro-1-piperidin-1-ylsulfonylethenyl)sulfonyl-methylsulfonylazanide?
The InChIKey is OPVBXKUQEIPAOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2N2O6S3/c1-19(13,14)11-20(15,16)8(7(9)10)21(17,18)12-5-3-2-4-6-12/h2-6H2,1H3/q-1.
What are the key properties of (2,2-difluoro-1-piperidin-1-ylsulfonylethenyl)sulfonyl-methylsulfonylazanide?
(2,2-difluoro-1-piperidin-1-ylsulfonylethenyl)sulfonyl-methylsulfonylazanide has a molecular weight of 367.40 g/mol, XLogP of 0.53, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-difluoro-1-piperidin-1-ylsulfonylethenyl)sulfonyl-methylsulfonylazanide is sourced from PubChem (CID 58571476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).