2-adamantyloxysulfonyl-[cyclopentyloxysulfonyl(difluoro)methyl]sulfonylazanide

C16H24F2NO8S3- — CID 140750687

IUPAC2-adamantyloxysulfonyl-[cyclopentyloxysulfonyl(difluoro)methyl]sulfonylazanide
SMILESO=S(=O)([N-]S(=O)(=O)C(F)(F)S(=O)(=O)OC1CCCC1)OC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C16H24F2NO8S3/c17-16(18,29(22,23)26-14-3-1-2-4-14)28(20,21)19-30(24,25)27-15-12-6-10-5-11(8-12)9-13(15)7-10/h10-15H,1-9H2/q-1
InChIKeyOHGLLPKIQQASKA-UHFFFAOYSA-N
MW492.56 g/mol
LogP2.62
Rot. Bonds8

About 2-adamantyloxysulfonyl-[cyclopentyloxysulfonyl(difluoro)methyl]sulfonylazanide

2-adamantyloxysulfonyl-[cyclopentyloxysulfonyl(difluoro)methyl]sulfonylazanide (PubChem CID 140750687) has the molecular formula C16H24F2NO8S3- and a molecular weight of 492.56 g/mol. Its IUPAC name is 2-adamantyloxysulfonyl-[cyclopentyloxysulfonyl(difluoro)methyl]sulfonylazanide.

Molecular Properties

Compound Name2-adamantyloxysulfonyl-[cyclopentyloxysulfonyl(difluoro)methyl]sulfonylazanide
PubChem CID140750687
Molecular FormulaC16H24F2NO8S3-
Molecular Weight492.56 g/mol
Exact Mass492.06
IUPAC Name2-adamantyloxysulfonyl-[cyclopentyloxysulfonyl(difluoro)methyl]sulfonylazanide
SMILESO=S(=O)([N-]S(=O)(=O)C(F)(F)S(=O)(=O)OC1CCCC1)OC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C16H24F2NO8S3/c17-16(18,29(22,23)26-14-3-1-2-4-14)28(20,21)19-30(24,25)27-15-12-6-10-5-11(8-12)9-13(15)7-10/h10-15H,1-9H2/q-1
InChIKeyOHGLLPKIQQASKA-UHFFFAOYSA-N
XLogP2.62
TPSA134.98 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.56
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-adamantyloxysulfonyl-[cyclopentyloxysulfonyl(difluoro)methyl]sulfonylazanide?
The IUPAC name of 2-adamantyloxysulfonyl-[cyclopentyloxysulfonyl(difluoro)methyl]sulfonylazanide (CID 140750687) is 2-adamantyloxysulfonyl-[cyclopentyloxysulfonyl(difluoro)methyl]sulfonylazanide.
What is the SMILES notation for 2-adamantyloxysulfonyl-[cyclopentyloxysulfonyl(difluoro)methyl]sulfonylazanide?
The canonical SMILES for 2-adamantyloxysulfonyl-[cyclopentyloxysulfonyl(difluoro)methyl]sulfonylazanide is O=S(=O)([N-]S(=O)(=O)C(F)(F)S(=O)(=O)OC1CCCC1)OC1C2CC3CC(C2)CC1C3.
What is the InChIKey of 2-adamantyloxysulfonyl-[cyclopentyloxysulfonyl(difluoro)methyl]sulfonylazanide?
The InChIKey is OHGLLPKIQQASKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F2NO8S3/c17-16(18,29(22,23)26-14-3-1-2-4-14)28(20,21)19-30(24,25)27-15-12-6-10-5-11(8-12)9-13(15)7-10/h10-15H,1-9H2/q-1.
What are the key properties of 2-adamantyloxysulfonyl-[cyclopentyloxysulfonyl(difluoro)methyl]sulfonylazanide?
2-adamantyloxysulfonyl-[cyclopentyloxysulfonyl(difluoro)methyl]sulfonylazanide has a molecular weight of 492.56 g/mol, XLogP of 2.62, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-adamantyloxysulfonyl-[cyclopentyloxysulfonyl(difluoro)methyl]sulfonylazanide is sourced from PubChem (CID 140750687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).