N-butyl-2,2,3,3,3-pentafluoro-N-propan-2-ylpropane-1-sulfonamide

C10H18F5NO2S — CID 89281517

IUPACN-butyl-2,2,3,3,3-pentafluoro-N-propan-2-ylpropane-1-sulfonamide
SMILESCCCCN(C(C)C)S(=O)(=O)CC(F)(F)C(F)(F)F
InChIInChI=1S/C10H18F5NO2S/c1-4-5-6-16(8(2)3)19(17,18)7-9(11,12)10(13,14)15/h8H,4-7H2,1-3H3
InChIKeyZMDUNFCWZNTLJK-UHFFFAOYSA-N
MW311.32 g/mol
LogP3.02
Rot. Bonds7

About N-butyl-2,2,3,3,3-pentafluoro-N-propan-2-ylpropane-1-sulfonamide

N-butyl-2,2,3,3,3-pentafluoro-N-propan-2-ylpropane-1-sulfonamide (PubChem CID 89281517) has the molecular formula C10H18F5NO2S and a molecular weight of 311.32 g/mol. Its IUPAC name is N-butyl-2,2,3,3,3-pentafluoro-N-propan-2-ylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-butyl-2,2,3,3,3-pentafluoro-N-propan-2-ylpropane-1-sulfonamide
PubChem CID89281517
Molecular FormulaC10H18F5NO2S
Molecular Weight311.32 g/mol
Exact Mass311.10
IUPAC NameN-butyl-2,2,3,3,3-pentafluoro-N-propan-2-ylpropane-1-sulfonamide
SMILESCCCCN(C(C)C)S(=O)(=O)CC(F)(F)C(F)(F)F
InChIInChI=1S/C10H18F5NO2S/c1-4-5-6-16(8(2)3)19(17,18)7-9(11,12)10(13,14)15/h8H,4-7H2,1-3H3
InChIKeyZMDUNFCWZNTLJK-UHFFFAOYSA-N
XLogP3.02
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.32
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-butyl-2,2,3,3,3-pentafluoro-N-propan-2-ylpropane-1-sulfonamide?
The IUPAC name of N-butyl-2,2,3,3,3-pentafluoro-N-propan-2-ylpropane-1-sulfonamide (CID 89281517) is N-butyl-2,2,3,3,3-pentafluoro-N-propan-2-ylpropane-1-sulfonamide.
What is the SMILES notation for N-butyl-2,2,3,3,3-pentafluoro-N-propan-2-ylpropane-1-sulfonamide?
The canonical SMILES for N-butyl-2,2,3,3,3-pentafluoro-N-propan-2-ylpropane-1-sulfonamide is CCCCN(C(C)C)S(=O)(=O)CC(F)(F)C(F)(F)F.
What is the InChIKey of N-butyl-2,2,3,3,3-pentafluoro-N-propan-2-ylpropane-1-sulfonamide?
The InChIKey is ZMDUNFCWZNTLJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F5NO2S/c1-4-5-6-16(8(2)3)19(17,18)7-9(11,12)10(13,14)15/h8H,4-7H2,1-3H3.
What are the key properties of N-butyl-2,2,3,3,3-pentafluoro-N-propan-2-ylpropane-1-sulfonamide?
N-butyl-2,2,3,3,3-pentafluoro-N-propan-2-ylpropane-1-sulfonamide has a molecular weight of 311.32 g/mol, XLogP of 3.02, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2,2,3,3,3-pentafluoro-N-propan-2-ylpropane-1-sulfonamide is sourced from PubChem (CID 89281517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).