2-(3-fluorophenyl)sulfonyl-6-oxa-2,9-diazabicyclo[9.3.0]tetradecan-10-one

C17H23FN2O4S — CID 156612065

IUPAC2-(3-fluorophenyl)sulfonyl-6-oxa-2,9-diazabicyclo[9.3.0]tetradecan-10-one
SMILESO=C1NCCOCCCN(S(=O)(=O)c2cccc(F)c2)C2CCCC12
InChIInChI=1S/C17H23FN2O4S/c18-13-4-1-5-14(12-13)25(22,23)20-9-3-10-24-11-8-19-17(21)15-6-2-7-16(15)20/h1,4-5,12,15-16H,2-3,6-11H2,(H,19,21)
InChIKeyGPUDNLWUAMTEBS-UHFFFAOYSA-N
MW370.45 g/mol
LogP1.52
Rot. Bonds2

About 2-(3-fluorophenyl)sulfonyl-6-oxa-2,9-diazabicyclo[9.3.0]tetradecan-10-one

2-(3-fluorophenyl)sulfonyl-6-oxa-2,9-diazabicyclo[9.3.0]tetradecan-10-one (PubChem CID 156612065) has the molecular formula C17H23FN2O4S and a molecular weight of 370.45 g/mol. Its IUPAC name is 2-(3-fluorophenyl)sulfonyl-6-oxa-2,9-diazabicyclo[9.3.0]tetradecan-10-one.

Molecular Properties

Compound Name2-(3-fluorophenyl)sulfonyl-6-oxa-2,9-diazabicyclo[9.3.0]tetradecan-10-one
PubChem CID156612065
Molecular FormulaC17H23FN2O4S
Molecular Weight370.45 g/mol
Exact Mass370.14
IUPAC Name2-(3-fluorophenyl)sulfonyl-6-oxa-2,9-diazabicyclo[9.3.0]tetradecan-10-one
SMILESO=C1NCCOCCCN(S(=O)(=O)c2cccc(F)c2)C2CCCC12
InChIInChI=1S/C17H23FN2O4S/c18-13-4-1-5-14(12-13)25(22,23)20-9-3-10-24-11-8-19-17(21)15-6-2-7-16(15)20/h1,4-5,12,15-16H,2-3,6-11H2,(H,19,21)
InChIKeyGPUDNLWUAMTEBS-UHFFFAOYSA-N
XLogP1.52
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3-fluorophenyl)sulfonyl-6-oxa-2,9-diazabicyclo[9.3.0]tetradecan-10-one 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

1-(3-bromophenyl)sulfonyl-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one
CID 103197720
1-(4-fluorophenyl)sulfonyl-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one
CID 103195191
3-[(5-oxo-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-1-yl)sulfonyl]benzonitrile
CID 103195778
[1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 51307377
(8aS,12aR)-1-ethylsulfonyl-3,5,6,7,8a,9,10,11,12,12a-decahydro-2H-benzo[e][1,4,8]oxadiazecin-8-one
CID 110201033
1-(3-fluorophenyl)sulfonyl-2-(1H-pyrazol-5-yl)piperidine
CID 118740396
8-(3-fluorophenyl)sulfonyl-3,8-diazabicyclo[4.2.1]nonane
CID 155420287
methyl 1-(3-fluorophenyl)sulfonylpyrrolidine-2-carboxylate
CID 43409871
(2R)-2-(3-fluorophenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrolidine
CID 51855630
(8aR,11aS)-1-[2-(3-fluorophenyl)acetyl]-3,4,5,6,7,8a,9,10,11,11a-decahydro-2H-cyclopenta[b][1,5]diazecin-8-one
CID 110201533
3-fluoro-N-(2-oxopiperidin-3-yl)benzenesulfonamide
CID 49457165
2-(1,3-benzodioxol-5-yl)-1-(3-fluorophenyl)sulfonylpyrrolidine
CID 126778989

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)sulfonyl-6-oxa-2,9-diazabicyclo[9.3.0]tetradecan-10-one?
The IUPAC name of 2-(3-fluorophenyl)sulfonyl-6-oxa-2,9-diazabicyclo[9.3.0]tetradecan-10-one (CID 156612065) is 2-(3-fluorophenyl)sulfonyl-6-oxa-2,9-diazabicyclo[9.3.0]tetradecan-10-one.
What is the SMILES notation for 2-(3-fluorophenyl)sulfonyl-6-oxa-2,9-diazabicyclo[9.3.0]tetradecan-10-one?
The canonical SMILES for 2-(3-fluorophenyl)sulfonyl-6-oxa-2,9-diazabicyclo[9.3.0]tetradecan-10-one is O=C1NCCOCCCN(S(=O)(=O)c2cccc(F)c2)C2CCCC12.
What is the InChIKey of 2-(3-fluorophenyl)sulfonyl-6-oxa-2,9-diazabicyclo[9.3.0]tetradecan-10-one?
The InChIKey is GPUDNLWUAMTEBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O4S/c18-13-4-1-5-14(12-13)25(22,23)20-9-3-10-24-11-8-19-17(21)15-6-2-7-16(15)20/h1,4-5,12,15-16H,2-3,6-11H2,(H,19,21).
What are the key properties of 2-(3-fluorophenyl)sulfonyl-6-oxa-2,9-diazabicyclo[9.3.0]tetradecan-10-one?
2-(3-fluorophenyl)sulfonyl-6-oxa-2,9-diazabicyclo[9.3.0]tetradecan-10-one has a molecular weight of 370.45 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)sulfonyl-6-oxa-2,9-diazabicyclo[9.3.0]tetradecan-10-one is sourced from PubChem (CID 156612065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).