N,N-diethyl-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonamide

C10H10F13NO2S — CID 125498317

IUPACN,N-diethyl-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonamide
SMILESCCN(CC)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H10F13NO2S/c1-3-24(4-2)27(25,26)10(22,23)8(17,18)6(13,14)5(11,12)7(15,16)9(19,20)21/h3-4H2,1-2H3
InChIKeyKRVYEQXJBYQTOX-UHFFFAOYSA-N
MW455.24 g/mol
LogP4.35
Rot. Bonds8

About N,N-diethyl-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonamide

N,N-diethyl-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonamide (PubChem CID 125498317) has the molecular formula C10H10F13NO2S and a molecular weight of 455.24 g/mol. Its IUPAC name is N,N-diethyl-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonamide.

Molecular Properties

Compound NameN,N-diethyl-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonamide
PubChem CID125498317
Molecular FormulaC10H10F13NO2S
Molecular Weight455.24 g/mol
Exact Mass455.02
IUPAC NameN,N-diethyl-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonamide
SMILESCCN(CC)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H10F13NO2S/c1-3-24(4-2)27(25,26)10(22,23)8(17,18)6(13,14)5(11,12)7(15,16)9(19,20)21/h3-4H2,1-2H3
InChIKeyKRVYEQXJBYQTOX-UHFFFAOYSA-N
XLogP4.35
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.24
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N,N-diethyl-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonamide?
The IUPAC name of N,N-diethyl-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonamide (CID 125498317) is N,N-diethyl-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonamide.
What is the SMILES notation for N,N-diethyl-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonamide?
The canonical SMILES for N,N-diethyl-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonamide is CCN(CC)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of N,N-diethyl-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonamide?
The InChIKey is KRVYEQXJBYQTOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F13NO2S/c1-3-24(4-2)27(25,26)10(22,23)8(17,18)6(13,14)5(11,12)7(15,16)9(19,20)21/h3-4H2,1-2H3.
What are the key properties of N,N-diethyl-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonamide?
N,N-diethyl-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonamide has a molecular weight of 455.24 g/mol, XLogP of 4.35, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonamide is sourced from PubChem (CID 125498317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).