N-ethyl-3-fluoropropane-1-sulfonamide

C5H12FNO2S — CID 126991908

IUPACN-ethyl-3-fluoropropane-1-sulfonamide
SMILESCCNS(=O)(=O)CCCF
InChIInChI=1S/C5H12FNO2S/c1-2-7-10(8,9)5-3-4-6/h7H,2-5H2,1H3
InChIKeyLAZVCMQHLFEIRB-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.29
Rot. Bonds5

About N-ethyl-3-fluoropropane-1-sulfonamide

N-ethyl-3-fluoropropane-1-sulfonamide (PubChem CID 126991908) has the molecular formula C5H12FNO2S and a molecular weight of 169.22 g/mol. Its IUPAC name is N-ethyl-3-fluoropropane-1-sulfonamide.

Molecular Properties

Compound NameN-ethyl-3-fluoropropane-1-sulfonamide
PubChem CID126991908
Molecular FormulaC5H12FNO2S
Molecular Weight169.22 g/mol
Exact Mass169.06
IUPAC NameN-ethyl-3-fluoropropane-1-sulfonamide
SMILESCCNS(=O)(=O)CCCF
InChIInChI=1S/C5H12FNO2S/c1-2-7-10(8,9)5-3-4-6/h7H,2-5H2,1H3
InChIKeyLAZVCMQHLFEIRB-UHFFFAOYSA-N
XLogP0.29
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-fluoropropane-1-sulfonamide?
The IUPAC name of N-ethyl-3-fluoropropane-1-sulfonamide (CID 126991908) is N-ethyl-3-fluoropropane-1-sulfonamide.
What is the SMILES notation for N-ethyl-3-fluoropropane-1-sulfonamide?
The canonical SMILES for N-ethyl-3-fluoropropane-1-sulfonamide is CCNS(=O)(=O)CCCF.
What is the InChIKey of N-ethyl-3-fluoropropane-1-sulfonamide?
The InChIKey is LAZVCMQHLFEIRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12FNO2S/c1-2-7-10(8,9)5-3-4-6/h7H,2-5H2,1H3.
What are the key properties of N-ethyl-3-fluoropropane-1-sulfonamide?
N-ethyl-3-fluoropropane-1-sulfonamide has a molecular weight of 169.22 g/mol, XLogP of 0.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-fluoropropane-1-sulfonamide is sourced from PubChem (CID 126991908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).