3-fluoro-3-methylazetidine-1-sulfonamide

C4H9FN2O2S — CID 122706933

IUPAC3-fluoro-3-methylazetidine-1-sulfonamide
SMILESCC1(F)CN(S(N)(=O)=O)C1
InChIInChI=1S/C4H9FN2O2S/c1-4(5)2-7(3-4)10(6,8)9/h2-3H2,1H3,(H2,6,8,9)
InChIKeyMSFHBPXBZZWTJI-UHFFFAOYSA-N
MW168.19 g/mol
LogP-0.77
Rot. Bonds1

About 3-fluoro-3-methylazetidine-1-sulfonamide

3-fluoro-3-methylazetidine-1-sulfonamide (PubChem CID 122706933) has the molecular formula C4H9FN2O2S and a molecular weight of 168.19 g/mol. Its IUPAC name is 3-fluoro-3-methylazetidine-1-sulfonamide.

Molecular Properties

Compound Name3-fluoro-3-methylazetidine-1-sulfonamide
PubChem CID122706933
Molecular FormulaC4H9FN2O2S
Molecular Weight168.19 g/mol
Exact Mass168.04
IUPAC Name3-fluoro-3-methylazetidine-1-sulfonamide
SMILESCC1(F)CN(S(N)(=O)=O)C1
InChIInChI=1S/C4H9FN2O2S/c1-4(5)2-7(3-4)10(6,8)9/h2-3H2,1H3,(H2,6,8,9)
InChIKeyMSFHBPXBZZWTJI-UHFFFAOYSA-N
XLogP-0.77
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.19
LogP ≤ 5-0.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-methylazetidine-1-sulfonamide?
The IUPAC name of 3-fluoro-3-methylazetidine-1-sulfonamide (CID 122706933) is 3-fluoro-3-methylazetidine-1-sulfonamide.
What is the SMILES notation for 3-fluoro-3-methylazetidine-1-sulfonamide?
The canonical SMILES for 3-fluoro-3-methylazetidine-1-sulfonamide is CC1(F)CN(S(N)(=O)=O)C1.
What is the InChIKey of 3-fluoro-3-methylazetidine-1-sulfonamide?
The InChIKey is MSFHBPXBZZWTJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9FN2O2S/c1-4(5)2-7(3-4)10(6,8)9/h2-3H2,1H3,(H2,6,8,9).
What are the key properties of 3-fluoro-3-methylazetidine-1-sulfonamide?
3-fluoro-3-methylazetidine-1-sulfonamide has a molecular weight of 168.19 g/mol, XLogP of -0.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-methylazetidine-1-sulfonamide is sourced from PubChem (CID 122706933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).