(4-fluoro-3-pyrrolidin-1-ylsulfonylphenyl)-[(5R)-2-oxa-7-azaspiro[4.4]nonan-7-yl]methanone

C18H23FN2O4S — CID 99697876

IUPAC(4-fluoro-3-pyrrolidin-1-ylsulfonylphenyl)-[(5R)-2-oxa-7-azaspiro[4.4]nonan-7-yl]methanone
SMILESO=C(c1ccc(F)c(S(=O)(=O)N2CCCC2)c1)N1CC[C@@]2(CCOC2)C1
InChIInChI=1S/C18H23FN2O4S/c19-15-4-3-14(11-16(15)26(23,24)21-7-1-2-8-21)17(22)20-9-5-18(12-20)6-10-25-13-18/h3-4,11H,1-2,5-10,12-13H2/t18-/m1/s1
InChIKeyPNASULCOWAAXPT-GOSISDBHSA-N
MW382.46 g/mol
LogP1.86
Rot. Bonds3

About (4-fluoro-3-pyrrolidin-1-ylsulfonylphenyl)-[(5R)-2-oxa-7-azaspiro[4.4]nonan-7-yl]methanone

(4-fluoro-3-pyrrolidin-1-ylsulfonylphenyl)-[(5R)-2-oxa-7-azaspiro[4.4]nonan-7-yl]methanone (PubChem CID 99697876) has the molecular formula C18H23FN2O4S and a molecular weight of 382.46 g/mol. Its IUPAC name is (4-fluoro-3-pyrrolidin-1-ylsulfonylphenyl)-[(5R)-2-oxa-7-azaspiro[4.4]nonan-7-yl]methanone.

Molecular Properties

Compound Name(4-fluoro-3-pyrrolidin-1-ylsulfonylphenyl)-[(5R)-2-oxa-7-azaspiro[4.4]nonan-7-yl]methanone
PubChem CID99697876
Molecular FormulaC18H23FN2O4S
Molecular Weight382.46 g/mol
Exact Mass382.14
IUPAC Name(4-fluoro-3-pyrrolidin-1-ylsulfonylphenyl)-[(5R)-2-oxa-7-azaspiro[4.4]nonan-7-yl]methanone
SMILESO=C(c1ccc(F)c(S(=O)(=O)N2CCCC2)c1)N1CC[C@@]2(CCOC2)C1
InChIInChI=1S/C18H23FN2O4S/c19-15-4-3-14(11-16(15)26(23,24)21-7-1-2-8-21)17(22)20-9-5-18(12-20)6-10-25-13-18/h3-4,11H,1-2,5-10,12-13H2/t18-/m1/s1
InChIKeyPNASULCOWAAXPT-GOSISDBHSA-N
XLogP1.86
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4-fluoro-3-pyrrolidin-1-ylsulfonylphenyl)-[(5R)-2-oxa-7-azaspiro[4.4]nonan-7-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

azepan-1-yl-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)methanone
CID 7964090
(3,4-difluorophenyl)-[4-(4-fluoro-3-pyrrolidin-1-ylsulfonylbenzoyl)piperazin-1-yl]methanone
CID 55599727
7-(2-oxa-7-azaspiro[4.4]nonane-7-carbonyl)-2-sulfanylidene-1H-quinazolin-4-one
CID 102559548
(3-aminophenyl)-(2-oxa-7-azaspiro[4.4]nonan-7-yl)methanone;hydrochloride
CID 119813649
4-fluoro-3-morpholin-4-ylsulfonylbenzamide
CID 27243385
(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 24983009
(2-ethylpiperidin-1-yl)-(4-fluoro-3-piperidin-1-ylsulfonylphenyl)methanone
CID 51147915
2-oxa-7-azaspiro[4.4]nonan-7-yl(1,2-oxazol-5-yl)methanone
CID 131641455
[3-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-[(5S)-2-oxa-7-azaspiro[4.4]nonan-7-yl]methanone
CID 96539429
(2-butan-2-yloxy-4-pyridinyl)-(2-oxa-7-azaspiro[4.4]nonan-7-yl)methanone
CID 84596637
4-fluoro-N'-(4-fluorobenzoyl)-3-piperidin-1-ylsulfonylbenzohydrazide
CID 55333909
[4-(2,6-dimethylphenoxy)piperidin-1-yl]-(4-fluoro-3-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 55803651

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-3-pyrrolidin-1-ylsulfonylphenyl)-[(5R)-2-oxa-7-azaspiro[4.4]nonan-7-yl]methanone?
The IUPAC name of (4-fluoro-3-pyrrolidin-1-ylsulfonylphenyl)-[(5R)-2-oxa-7-azaspiro[4.4]nonan-7-yl]methanone (CID 99697876) is (4-fluoro-3-pyrrolidin-1-ylsulfonylphenyl)-[(5R)-2-oxa-7-azaspiro[4.4]nonan-7-yl]methanone.
What is the SMILES notation for (4-fluoro-3-pyrrolidin-1-ylsulfonylphenyl)-[(5R)-2-oxa-7-azaspiro[4.4]nonan-7-yl]methanone?
The canonical SMILES for (4-fluoro-3-pyrrolidin-1-ylsulfonylphenyl)-[(5R)-2-oxa-7-azaspiro[4.4]nonan-7-yl]methanone is O=C(c1ccc(F)c(S(=O)(=O)N2CCCC2)c1)N1CC[C@@]2(CCOC2)C1.
What is the InChIKey of (4-fluoro-3-pyrrolidin-1-ylsulfonylphenyl)-[(5R)-2-oxa-7-azaspiro[4.4]nonan-7-yl]methanone?
The InChIKey is PNASULCOWAAXPT-GOSISDBHSA-N. The full InChI is InChI=1S/C18H23FN2O4S/c19-15-4-3-14(11-16(15)26(23,24)21-7-1-2-8-21)17(22)20-9-5-18(12-20)6-10-25-13-18/h3-4,11H,1-2,5-10,12-13H2/t18-/m1/s1.
What are the key properties of (4-fluoro-3-pyrrolidin-1-ylsulfonylphenyl)-[(5R)-2-oxa-7-azaspiro[4.4]nonan-7-yl]methanone?
(4-fluoro-3-pyrrolidin-1-ylsulfonylphenyl)-[(5R)-2-oxa-7-azaspiro[4.4]nonan-7-yl]methanone has a molecular weight of 382.46 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-3-pyrrolidin-1-ylsulfonylphenyl)-[(5R)-2-oxa-7-azaspiro[4.4]nonan-7-yl]methanone is sourced from PubChem (CID 99697876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).