1-fluorobutyl N-chlorosulfonylcarbamate

C5H9ClFNO4S — CID 87948845

IUPAC1-fluorobutyl N-chlorosulfonylcarbamate
SMILESCCCC(F)OC(=O)NS(=O)(=O)Cl
InChIInChI=1S/C5H9ClFNO4S/c1-2-3-4(7)12-5(9)8-13(6,10)11/h4H,2-3H2,1H3,(H,8,9)
InChIKeyGZQWZHLPNANRDT-UHFFFAOYSA-N
MW233.65 g/mol
LogP1.29
Rot. Bonds4

About 1-fluorobutyl N-chlorosulfonylcarbamate

1-fluorobutyl N-chlorosulfonylcarbamate (PubChem CID 87948845) has the molecular formula C5H9ClFNO4S and a molecular weight of 233.65 g/mol. Its IUPAC name is 1-fluorobutyl N-chlorosulfonylcarbamate.

Molecular Properties

Compound Name1-fluorobutyl N-chlorosulfonylcarbamate
PubChem CID87948845
Molecular FormulaC5H9ClFNO4S
Molecular Weight233.65 g/mol
Exact Mass232.99
IUPAC Name1-fluorobutyl N-chlorosulfonylcarbamate
SMILESCCCC(F)OC(=O)NS(=O)(=O)Cl
InChIInChI=1S/C5H9ClFNO4S/c1-2-3-4(7)12-5(9)8-13(6,10)11/h4H,2-3H2,1H3,(H,8,9)
InChIKeyGZQWZHLPNANRDT-UHFFFAOYSA-N
XLogP1.29
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.65
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-fluorobutyl N-chlorosulfonylcarbamate?
The IUPAC name of 1-fluorobutyl N-chlorosulfonylcarbamate (CID 87948845) is 1-fluorobutyl N-chlorosulfonylcarbamate.
What is the SMILES notation for 1-fluorobutyl N-chlorosulfonylcarbamate?
The canonical SMILES for 1-fluorobutyl N-chlorosulfonylcarbamate is CCCC(F)OC(=O)NS(=O)(=O)Cl.
What is the InChIKey of 1-fluorobutyl N-chlorosulfonylcarbamate?
The InChIKey is GZQWZHLPNANRDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9ClFNO4S/c1-2-3-4(7)12-5(9)8-13(6,10)11/h4H,2-3H2,1H3,(H,8,9).
What are the key properties of 1-fluorobutyl N-chlorosulfonylcarbamate?
1-fluorobutyl N-chlorosulfonylcarbamate has a molecular weight of 233.65 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluorobutyl N-chlorosulfonylcarbamate is sourced from PubChem (CID 87948845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).