1-fluoro-N-[(3R,4S)-4-fluoropyrrolidin-3-yl]cyclopropane-1-sulfonamide

C7H12F2N2O2S — CID 171651179

IUPAC1-fluoro-N-[(3R,4S)-4-fluoropyrrolidin-3-yl]cyclopropane-1-sulfonamide
SMILESO=S(=O)(N[C@@H]1CNC[C@@H]1F)C1(F)CC1
InChIInChI=1S/C7H12F2N2O2S/c8-5-3-10-4-6(5)11-14(12,13)7(9)1-2-7/h5-6,10-11H,1-4H2/t5-,6+/m0/s1
InChIKeyDTOZBEIJQRCDFK-NTSWFWBYSA-N
MW226.25 g/mol
LogP-0.32
Rot. Bonds3

About 1-fluoro-N-[(3R,4S)-4-fluoropyrrolidin-3-yl]cyclopropane-1-sulfonamide

1-fluoro-N-[(3R,4S)-4-fluoropyrrolidin-3-yl]cyclopropane-1-sulfonamide (PubChem CID 171651179) has the molecular formula C7H12F2N2O2S and a molecular weight of 226.25 g/mol. Its IUPAC name is 1-fluoro-N-[(3R,4S)-4-fluoropyrrolidin-3-yl]cyclopropane-1-sulfonamide.

Molecular Properties

Compound Name1-fluoro-N-[(3R,4S)-4-fluoropyrrolidin-3-yl]cyclopropane-1-sulfonamide
PubChem CID171651179
Molecular FormulaC7H12F2N2O2S
Molecular Weight226.25 g/mol
Exact Mass226.06
IUPAC Name1-fluoro-N-[(3R,4S)-4-fluoropyrrolidin-3-yl]cyclopropane-1-sulfonamide
SMILESO=S(=O)(N[C@@H]1CNC[C@@H]1F)C1(F)CC1
InChIInChI=1S/C7H12F2N2O2S/c8-5-3-10-4-6(5)11-14(12,13)7(9)1-2-7/h5-6,10-11H,1-4H2/t5-,6+/m0/s1
InChIKeyDTOZBEIJQRCDFK-NTSWFWBYSA-N
XLogP-0.32
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-N-[(3R,4S)-4-fluoropyrrolidin-3-yl]cyclopropane-1-sulfonamide?
The IUPAC name of 1-fluoro-N-[(3R,4S)-4-fluoropyrrolidin-3-yl]cyclopropane-1-sulfonamide (CID 171651179) is 1-fluoro-N-[(3R,4S)-4-fluoropyrrolidin-3-yl]cyclopropane-1-sulfonamide.
What is the SMILES notation for 1-fluoro-N-[(3R,4S)-4-fluoropyrrolidin-3-yl]cyclopropane-1-sulfonamide?
The canonical SMILES for 1-fluoro-N-[(3R,4S)-4-fluoropyrrolidin-3-yl]cyclopropane-1-sulfonamide is O=S(=O)(N[C@@H]1CNC[C@@H]1F)C1(F)CC1.
What is the InChIKey of 1-fluoro-N-[(3R,4S)-4-fluoropyrrolidin-3-yl]cyclopropane-1-sulfonamide?
The InChIKey is DTOZBEIJQRCDFK-NTSWFWBYSA-N. The full InChI is InChI=1S/C7H12F2N2O2S/c8-5-3-10-4-6(5)11-14(12,13)7(9)1-2-7/h5-6,10-11H,1-4H2/t5-,6+/m0/s1.
What are the key properties of 1-fluoro-N-[(3R,4S)-4-fluoropyrrolidin-3-yl]cyclopropane-1-sulfonamide?
1-fluoro-N-[(3R,4S)-4-fluoropyrrolidin-3-yl]cyclopropane-1-sulfonamide has a molecular weight of 226.25 g/mol, XLogP of -0.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-N-[(3R,4S)-4-fluoropyrrolidin-3-yl]cyclopropane-1-sulfonamide is sourced from PubChem (CID 171651179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).