3-(fluoromethyl)-N-[(3R,4S)-3-(methoxymethyl)-1-pyridazin-3-ylpiperidin-4-yl]azetidine-1-sulfonamide

C15H24FN5O3S — CID 174324888

IUPAC3-(fluoromethyl)-N-[(3R,4S)-3-(methoxymethyl)-1-pyridazin-3-ylpiperidin-4-yl]azetidine-1-sulfonamide
SMILESCOC[C@@H]1CN(c2cccnn2)CC[C@@H]1NS(=O)(=O)N1CC(CF)C1
InChIInChI=1S/C15H24FN5O3S/c1-24-11-13-10-20(15-3-2-5-17-18-15)6-4-14(13)19-25(22,23)21-8-12(7-16)9-21/h2-3,5,12-14,19H,4,6-11H2,1H3/t13-,14-/m0/s1
InChIKeyGTHWUKRWYPLSNL-KBPBESRZSA-N
MW373.45 g/mol
LogP0.05
Rot. Bonds7

About 3-(fluoromethyl)-N-[(3R,4S)-3-(methoxymethyl)-1-pyridazin-3-ylpiperidin-4-yl]azetidine-1-sulfonamide

3-(fluoromethyl)-N-[(3R,4S)-3-(methoxymethyl)-1-pyridazin-3-ylpiperidin-4-yl]azetidine-1-sulfonamide (PubChem CID 174324888) has the molecular formula C15H24FN5O3S and a molecular weight of 373.45 g/mol. Its IUPAC name is 3-(fluoromethyl)-N-[(3R,4S)-3-(methoxymethyl)-1-pyridazin-3-ylpiperidin-4-yl]azetidine-1-sulfonamide.

Molecular Properties

Compound Name3-(fluoromethyl)-N-[(3R,4S)-3-(methoxymethyl)-1-pyridazin-3-ylpiperidin-4-yl]azetidine-1-sulfonamide
PubChem CID174324888
Molecular FormulaC15H24FN5O3S
Molecular Weight373.45 g/mol
Exact Mass373.16
IUPAC Name3-(fluoromethyl)-N-[(3R,4S)-3-(methoxymethyl)-1-pyridazin-3-ylpiperidin-4-yl]azetidine-1-sulfonamide
SMILESCOC[C@@H]1CN(c2cccnn2)CC[C@@H]1NS(=O)(=O)N1CC(CF)C1
InChIInChI=1S/C15H24FN5O3S/c1-24-11-13-10-20(15-3-2-5-17-18-15)6-4-14(13)19-25(22,23)21-8-12(7-16)9-21/h2-3,5,12-14,19H,4,6-11H2,1H3/t13-,14-/m0/s1
InChIKeyGTHWUKRWYPLSNL-KBPBESRZSA-N
XLogP0.05
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(fluoromethyl)-N-[(3R,4S)-3-(methoxymethyl)-1-pyridazin-3-ylpiperidin-4-yl]azetidine-1-sulfonamide?
The IUPAC name of 3-(fluoromethyl)-N-[(3R,4S)-3-(methoxymethyl)-1-pyridazin-3-ylpiperidin-4-yl]azetidine-1-sulfonamide (CID 174324888) is 3-(fluoromethyl)-N-[(3R,4S)-3-(methoxymethyl)-1-pyridazin-3-ylpiperidin-4-yl]azetidine-1-sulfonamide.
What is the SMILES notation for 3-(fluoromethyl)-N-[(3R,4S)-3-(methoxymethyl)-1-pyridazin-3-ylpiperidin-4-yl]azetidine-1-sulfonamide?
The canonical SMILES for 3-(fluoromethyl)-N-[(3R,4S)-3-(methoxymethyl)-1-pyridazin-3-ylpiperidin-4-yl]azetidine-1-sulfonamide is COC[C@@H]1CN(c2cccnn2)CC[C@@H]1NS(=O)(=O)N1CC(CF)C1.
What is the InChIKey of 3-(fluoromethyl)-N-[(3R,4S)-3-(methoxymethyl)-1-pyridazin-3-ylpiperidin-4-yl]azetidine-1-sulfonamide?
The InChIKey is GTHWUKRWYPLSNL-KBPBESRZSA-N. The full InChI is InChI=1S/C15H24FN5O3S/c1-24-11-13-10-20(15-3-2-5-17-18-15)6-4-14(13)19-25(22,23)21-8-12(7-16)9-21/h2-3,5,12-14,19H,4,6-11H2,1H3/t13-,14-/m0/s1.
What are the key properties of 3-(fluoromethyl)-N-[(3R,4S)-3-(methoxymethyl)-1-pyridazin-3-ylpiperidin-4-yl]azetidine-1-sulfonamide?
3-(fluoromethyl)-N-[(3R,4S)-3-(methoxymethyl)-1-pyridazin-3-ylpiperidin-4-yl]azetidine-1-sulfonamide has a molecular weight of 373.45 g/mol, XLogP of 0.05, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(fluoromethyl)-N-[(3R,4S)-3-(methoxymethyl)-1-pyridazin-3-ylpiperidin-4-yl]azetidine-1-sulfonamide is sourced from PubChem (CID 174324888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).