[cyclohexylsulfonyl(difluoro)methyl]sulfonyl-(trifluoromethylsulfonyl)azanide

C8H11F5NO6S3- — CID 58152944

IUPAC[cyclohexylsulfonyl(difluoro)methyl]sulfonyl-(trifluoromethylsulfonyl)azanide
SMILESO=S(=O)([N-]S(=O)(=O)C(F)(F)S(=O)(=O)C1CCCCC1)C(F)(F)F
InChIInChI=1S/C8H11F5NO6S3/c9-7(10,11)22(17,18)14-23(19,20)8(12,13)21(15,16)6-4-2-1-3-5-6/h6H,1-5H2/q-1
InChIKeyIPOCQIPSIPTIGI-UHFFFAOYSA-N
MW408.37 g/mol
LogP1.84
Rot. Bonds5

About [cyclohexylsulfonyl(difluoro)methyl]sulfonyl-(trifluoromethylsulfonyl)azanide

[cyclohexylsulfonyl(difluoro)methyl]sulfonyl-(trifluoromethylsulfonyl)azanide (PubChem CID 58152944) has the molecular formula C8H11F5NO6S3- and a molecular weight of 408.37 g/mol. Its IUPAC name is [cyclohexylsulfonyl(difluoro)methyl]sulfonyl-(trifluoromethylsulfonyl)azanide.

Molecular Properties

Compound Name[cyclohexylsulfonyl(difluoro)methyl]sulfonyl-(trifluoromethylsulfonyl)azanide
PubChem CID58152944
Molecular FormulaC8H11F5NO6S3-
Molecular Weight408.37 g/mol
Exact Mass407.97
IUPAC Name[cyclohexylsulfonyl(difluoro)methyl]sulfonyl-(trifluoromethylsulfonyl)azanide
SMILESO=S(=O)([N-]S(=O)(=O)C(F)(F)S(=O)(=O)C1CCCCC1)C(F)(F)F
InChIInChI=1S/C8H11F5NO6S3/c9-7(10,11)22(17,18)14-23(19,20)8(12,13)21(15,16)6-4-2-1-3-5-6/h6H,1-5H2/q-1
InChIKeyIPOCQIPSIPTIGI-UHFFFAOYSA-N
XLogP1.84
TPSA116.52 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.37
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [cyclohexylsulfonyl(difluoro)methyl]sulfonyl-(trifluoromethylsulfonyl)azanide?
The IUPAC name of [cyclohexylsulfonyl(difluoro)methyl]sulfonyl-(trifluoromethylsulfonyl)azanide (CID 58152944) is [cyclohexylsulfonyl(difluoro)methyl]sulfonyl-(trifluoromethylsulfonyl)azanide.
What is the SMILES notation for [cyclohexylsulfonyl(difluoro)methyl]sulfonyl-(trifluoromethylsulfonyl)azanide?
The canonical SMILES for [cyclohexylsulfonyl(difluoro)methyl]sulfonyl-(trifluoromethylsulfonyl)azanide is O=S(=O)([N-]S(=O)(=O)C(F)(F)S(=O)(=O)C1CCCCC1)C(F)(F)F.
What is the InChIKey of [cyclohexylsulfonyl(difluoro)methyl]sulfonyl-(trifluoromethylsulfonyl)azanide?
The InChIKey is IPOCQIPSIPTIGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F5NO6S3/c9-7(10,11)22(17,18)14-23(19,20)8(12,13)21(15,16)6-4-2-1-3-5-6/h6H,1-5H2/q-1.
What are the key properties of [cyclohexylsulfonyl(difluoro)methyl]sulfonyl-(trifluoromethylsulfonyl)azanide?
[cyclohexylsulfonyl(difluoro)methyl]sulfonyl-(trifluoromethylsulfonyl)azanide has a molecular weight of 408.37 g/mol, XLogP of 1.84, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [cyclohexylsulfonyl(difluoro)methyl]sulfonyl-(trifluoromethylsulfonyl)azanide is sourced from PubChem (CID 58152944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).