cis-(1S,2R)-2-fluorocyclobutane-1-sulfonamide

C4H8FNO2S — CID 178194308

IUPACcis-(1S,2R)-2-fluorocyclobutane-1-sulfonamide
SMILESNS(=O)(=O)[C@H]1CC[C@H]1F
InChIInChI=1S/C4H8FNO2S/c5-3-1-2-4(3)9(6,7)8/h3-4H,1-2H2,(H2,6,7,8)/t3-,4+/m1/s1
InChIKeyLTDWBYJVASPHRE-DMTCNVIQSA-N
MW153.18 g/mol
LogP-0.22
Rot. Bonds1

About cis-(1S,2R)-2-fluorocyclobutane-1-sulfonamide

cis-(1S,2R)-2-fluorocyclobutane-1-sulfonamide (PubChem CID 178194308) has the molecular formula C4H8FNO2S and a molecular weight of 153.18 g/mol. Its IUPAC name is cis-(1S,2R)-2-fluorocyclobutane-1-sulfonamide.

Molecular Properties

Compound Namecis-(1S,2R)-2-fluorocyclobutane-1-sulfonamide
PubChem CID178194308
Molecular FormulaC4H8FNO2S
Molecular Weight153.18 g/mol
Exact Mass153.03
IUPAC Namecis-(1S,2R)-2-fluorocyclobutane-1-sulfonamide
SMILESNS(=O)(=O)[C@H]1CC[C@H]1F
InChIInChI=1S/C4H8FNO2S/c5-3-1-2-4(3)9(6,7)8/h3-4H,1-2H2,(H2,6,7,8)/t3-,4+/m1/s1
InChIKeyLTDWBYJVASPHRE-DMTCNVIQSA-N
XLogP-0.22
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-fluorocyclobutane-1-sulfonamide?
The IUPAC name of cis-(1S,2R)-2-fluorocyclobutane-1-sulfonamide (CID 178194308) is cis-(1S,2R)-2-fluorocyclobutane-1-sulfonamide.
What is the SMILES notation for cis-(1S,2R)-2-fluorocyclobutane-1-sulfonamide?
The canonical SMILES for cis-(1S,2R)-2-fluorocyclobutane-1-sulfonamide is NS(=O)(=O)[C@H]1CC[C@H]1F.
What is the InChIKey of cis-(1S,2R)-2-fluorocyclobutane-1-sulfonamide?
The InChIKey is LTDWBYJVASPHRE-DMTCNVIQSA-N. The full InChI is InChI=1S/C4H8FNO2S/c5-3-1-2-4(3)9(6,7)8/h3-4H,1-2H2,(H2,6,7,8)/t3-,4+/m1/s1.
What are the key properties of cis-(1S,2R)-2-fluorocyclobutane-1-sulfonamide?
cis-(1S,2R)-2-fluorocyclobutane-1-sulfonamide has a molecular weight of 153.18 g/mol, XLogP of -0.22, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-fluorocyclobutane-1-sulfonamide is sourced from PubChem (CID 178194308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).