1-fluoro-N-propan-2-yloctane-1-sulfonamide

C11H24FNO2S — CID 156688802

IUPAC1-fluoro-N-propan-2-yloctane-1-sulfonamide
SMILESCCCCCCCC(F)S(=O)(=O)NC(C)C
InChIInChI=1S/C11H24FNO2S/c1-4-5-6-7-8-9-11(12)16(14,15)13-10(2)3/h10-11,13H,4-9H2,1-3H3
InChIKeyJYSMMGMWYIBBAH-UHFFFAOYSA-N
MW253.38 g/mol
LogP2.97
Rot. Bonds9

About 1-fluoro-N-propan-2-yloctane-1-sulfonamide

1-fluoro-N-propan-2-yloctane-1-sulfonamide (PubChem CID 156688802) has the molecular formula C11H24FNO2S and a molecular weight of 253.38 g/mol. Its IUPAC name is 1-fluoro-N-propan-2-yloctane-1-sulfonamide.

Molecular Properties

Compound Name1-fluoro-N-propan-2-yloctane-1-sulfonamide
PubChem CID156688802
Molecular FormulaC11H24FNO2S
Molecular Weight253.38 g/mol
Exact Mass253.15
IUPAC Name1-fluoro-N-propan-2-yloctane-1-sulfonamide
SMILESCCCCCCCC(F)S(=O)(=O)NC(C)C
InChIInChI=1S/C11H24FNO2S/c1-4-5-6-7-8-9-11(12)16(14,15)13-10(2)3/h10-11,13H,4-9H2,1-3H3
InChIKeyJYSMMGMWYIBBAH-UHFFFAOYSA-N
XLogP2.97
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.38
LogP ≤ 52.97
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 1-fluoro-N-propan-2-yloctane-1-sulfonamide?
The IUPAC name of 1-fluoro-N-propan-2-yloctane-1-sulfonamide (CID 156688802) is 1-fluoro-N-propan-2-yloctane-1-sulfonamide.
What is the SMILES notation for 1-fluoro-N-propan-2-yloctane-1-sulfonamide?
The canonical SMILES for 1-fluoro-N-propan-2-yloctane-1-sulfonamide is CCCCCCCC(F)S(=O)(=O)NC(C)C.
What is the InChIKey of 1-fluoro-N-propan-2-yloctane-1-sulfonamide?
The InChIKey is JYSMMGMWYIBBAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24FNO2S/c1-4-5-6-7-8-9-11(12)16(14,15)13-10(2)3/h10-11,13H,4-9H2,1-3H3.
What are the key properties of 1-fluoro-N-propan-2-yloctane-1-sulfonamide?
1-fluoro-N-propan-2-yloctane-1-sulfonamide has a molecular weight of 253.38 g/mol, XLogP of 2.97, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-N-propan-2-yloctane-1-sulfonamide is sourced from PubChem (CID 156688802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).