N-[difluoro(piperidin-1-ylsulfonyl)methyl]sulfonyl-1,1,2,2-tetrafluoro-4-hydroxybutane-1-sulfonamide

C10H16F6N2O7S3 — CID 89403282

IUPACN-[difluoro(piperidin-1-ylsulfonyl)methyl]sulfonyl-1,1,2,2-tetrafluoro-4-hydroxybutane-1-sulfonamide
SMILESO=S(=O)(NS(=O)(=O)C(F)(F)S(=O)(=O)N1CCCCC1)C(F)(F)C(F)(F)CCO
InChIInChI=1S/C10H16F6N2O7S3/c11-8(12,4-7-19)9(13,14)26(20,21)17-27(22,23)10(15,16)28(24,25)18-5-2-1-3-6-18/h17,19H,1-7H2
InChIKeyKNCZOYXZFAMGOC-UHFFFAOYSA-N
MW486.43 g/mol
LogP0.21
Rot. Bonds9

About N-[difluoro(piperidin-1-ylsulfonyl)methyl]sulfonyl-1,1,2,2-tetrafluoro-4-hydroxybutane-1-sulfonamide

N-[difluoro(piperidin-1-ylsulfonyl)methyl]sulfonyl-1,1,2,2-tetrafluoro-4-hydroxybutane-1-sulfonamide (PubChem CID 89403282) has the molecular formula C10H16F6N2O7S3 and a molecular weight of 486.43 g/mol. Its IUPAC name is N-[difluoro(piperidin-1-ylsulfonyl)methyl]sulfonyl-1,1,2,2-tetrafluoro-4-hydroxybutane-1-sulfonamide.

Molecular Properties

Compound NameN-[difluoro(piperidin-1-ylsulfonyl)methyl]sulfonyl-1,1,2,2-tetrafluoro-4-hydroxybutane-1-sulfonamide
PubChem CID89403282
Molecular FormulaC10H16F6N2O7S3
Molecular Weight486.43 g/mol
Exact Mass486.00
IUPAC NameN-[difluoro(piperidin-1-ylsulfonyl)methyl]sulfonyl-1,1,2,2-tetrafluoro-4-hydroxybutane-1-sulfonamide
SMILESO=S(=O)(NS(=O)(=O)C(F)(F)S(=O)(=O)N1CCCCC1)C(F)(F)C(F)(F)CCO
InChIInChI=1S/C10H16F6N2O7S3/c11-8(12,4-7-19)9(13,14)26(20,21)17-27(22,23)10(15,16)28(24,25)18-5-2-1-3-6-18/h17,19H,1-7H2
InChIKeyKNCZOYXZFAMGOC-UHFFFAOYSA-N
XLogP0.21
TPSA137.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.43
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[difluoro(piperidin-1-ylsulfonyl)methyl]sulfonyl-1,1,2,2-tetrafluoro-4-hydroxybutane-1-sulfonamide?
The IUPAC name of N-[difluoro(piperidin-1-ylsulfonyl)methyl]sulfonyl-1,1,2,2-tetrafluoro-4-hydroxybutane-1-sulfonamide (CID 89403282) is N-[difluoro(piperidin-1-ylsulfonyl)methyl]sulfonyl-1,1,2,2-tetrafluoro-4-hydroxybutane-1-sulfonamide.
What is the SMILES notation for N-[difluoro(piperidin-1-ylsulfonyl)methyl]sulfonyl-1,1,2,2-tetrafluoro-4-hydroxybutane-1-sulfonamide?
The canonical SMILES for N-[difluoro(piperidin-1-ylsulfonyl)methyl]sulfonyl-1,1,2,2-tetrafluoro-4-hydroxybutane-1-sulfonamide is O=S(=O)(NS(=O)(=O)C(F)(F)S(=O)(=O)N1CCCCC1)C(F)(F)C(F)(F)CCO.
What is the InChIKey of N-[difluoro(piperidin-1-ylsulfonyl)methyl]sulfonyl-1,1,2,2-tetrafluoro-4-hydroxybutane-1-sulfonamide?
The InChIKey is KNCZOYXZFAMGOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F6N2O7S3/c11-8(12,4-7-19)9(13,14)26(20,21)17-27(22,23)10(15,16)28(24,25)18-5-2-1-3-6-18/h17,19H,1-7H2.
What are the key properties of N-[difluoro(piperidin-1-ylsulfonyl)methyl]sulfonyl-1,1,2,2-tetrafluoro-4-hydroxybutane-1-sulfonamide?
N-[difluoro(piperidin-1-ylsulfonyl)methyl]sulfonyl-1,1,2,2-tetrafluoro-4-hydroxybutane-1-sulfonamide has a molecular weight of 486.43 g/mol, XLogP of 0.21, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[difluoro(piperidin-1-ylsulfonyl)methyl]sulfonyl-1,1,2,2-tetrafluoro-4-hydroxybutane-1-sulfonamide is sourced from PubChem (CID 89403282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).