N-(2-fluoroethyl)hexane-1-sulfonamide

C8H18FNO2S — CID 87299798

IUPACN-(2-fluoroethyl)hexane-1-sulfonamide
SMILESCCCCCCS(=O)(=O)NCCF
InChIInChI=1S/C8H18FNO2S/c1-2-3-4-5-8-13(11,12)10-7-6-9/h10H,2-8H2,1H3
InChIKeyOZCWZDUUAVPFPN-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.46
Rot. Bonds8

About N-(2-fluoroethyl)hexane-1-sulfonamide

N-(2-fluoroethyl)hexane-1-sulfonamide (PubChem CID 87299798) has the molecular formula C8H18FNO2S and a molecular weight of 211.30 g/mol. Its IUPAC name is N-(2-fluoroethyl)hexane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-fluoroethyl)hexane-1-sulfonamide
PubChem CID87299798
Molecular FormulaC8H18FNO2S
Molecular Weight211.30 g/mol
Exact Mass211.10
IUPAC NameN-(2-fluoroethyl)hexane-1-sulfonamide
SMILESCCCCCCS(=O)(=O)NCCF
InChIInChI=1S/C8H18FNO2S/c1-2-3-4-5-8-13(11,12)10-7-6-9/h10H,2-8H2,1H3
InChIKeyOZCWZDUUAVPFPN-UHFFFAOYSA-N
XLogP1.46
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroethyl)hexane-1-sulfonamide?
The IUPAC name of N-(2-fluoroethyl)hexane-1-sulfonamide (CID 87299798) is N-(2-fluoroethyl)hexane-1-sulfonamide.
What is the SMILES notation for N-(2-fluoroethyl)hexane-1-sulfonamide?
The canonical SMILES for N-(2-fluoroethyl)hexane-1-sulfonamide is CCCCCCS(=O)(=O)NCCF.
What is the InChIKey of N-(2-fluoroethyl)hexane-1-sulfonamide?
The InChIKey is OZCWZDUUAVPFPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18FNO2S/c1-2-3-4-5-8-13(11,12)10-7-6-9/h10H,2-8H2,1H3.
What are the key properties of N-(2-fluoroethyl)hexane-1-sulfonamide?
N-(2-fluoroethyl)hexane-1-sulfonamide has a molecular weight of 211.30 g/mol, XLogP of 1.46, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroethyl)hexane-1-sulfonamide is sourced from PubChem (CID 87299798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).