3-fluoro-4-methoxy-N-[(9S)-6-oxo-5-azaspiro[3.5]nonan-9-yl]benzenesulfonamide

C15H19FN2O4S — CID 129353410

IUPAC3-fluoro-4-methoxy-N-[(9S)-6-oxo-5-azaspiro[3.5]nonan-9-yl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N[C@H]2CCC(=O)NC23CCC3)cc1F
InChIInChI=1S/C15H19FN2O4S/c1-22-12-4-3-10(9-11(12)16)23(20,21)18-13-5-6-14(19)17-15(13)7-2-8-15/h3-4,9,13,18H,2,5-8H2,1H3,(H,17,19)/t13-/m0/s1
InChIKeyUYAZPCOYGJXBTK-ZDUSSCGKSA-N
MW342.39 g/mol
LogP1.31
Rot. Bonds4

About 3-fluoro-4-methoxy-N-[(9S)-6-oxo-5-azaspiro[3.5]nonan-9-yl]benzenesulfonamide

3-fluoro-4-methoxy-N-[(9S)-6-oxo-5-azaspiro[3.5]nonan-9-yl]benzenesulfonamide (PubChem CID 129353410) has the molecular formula C15H19FN2O4S and a molecular weight of 342.39 g/mol. Its IUPAC name is 3-fluoro-4-methoxy-N-[(9S)-6-oxo-5-azaspiro[3.5]nonan-9-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-4-methoxy-N-[(9S)-6-oxo-5-azaspiro[3.5]nonan-9-yl]benzenesulfonamide
PubChem CID129353410
Molecular FormulaC15H19FN2O4S
Molecular Weight342.39 g/mol
Exact Mass342.10
IUPAC Name3-fluoro-4-methoxy-N-[(9S)-6-oxo-5-azaspiro[3.5]nonan-9-yl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N[C@H]2CCC(=O)NC23CCC3)cc1F
InChIInChI=1S/C15H19FN2O4S/c1-22-12-4-3-10(9-11(12)16)23(20,21)18-13-5-6-14(19)17-15(13)7-2-8-15/h3-4,9,13,18H,2,5-8H2,1H3,(H,17,19)/t13-/m0/s1
InChIKeyUYAZPCOYGJXBTK-ZDUSSCGKSA-N
XLogP1.31
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-fluoro-4-methoxy-N-[(9S)-6-oxo-5-azaspiro[3.5]nonan-9-yl]benzenesulfonamide 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

3-fluoro-4-methoxy-N-(7-oxaspiro[3.5]nonan-3-yl)benzenesulfonamide
CID 122276580
3-fluoro-4-methoxy-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 119960633
3-fluoro-4-methoxy-N-(2-methylpiperidin-4-yl)benzenesulfonamide
CID 106995675
3-fluoro-4-methoxy-N-[(3S)-piperidin-3-yl]benzenesulfonamide
CID 104982668
3-fluoro-4-methoxy-N-[(3S)-pyrrolidin-3-yl]benzenesulfonamide
CID 79685240
9-[[4-(difluoromethoxy)-3-fluorophenyl]methylamino]-5-azaspiro[3.5]nonan-6-one
CID 126812495
N-(2-amino-4-ethoxycyclobutyl)-3-fluoro-4-methoxybenzenesulfonamide
CID 66197056
3-amino-N-(2,2-dimethylcyclohexyl)-4-methoxybenzenesulfonamide
CID 79865271
N-[(2S,3aS)-4-oxo-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-2-yl]-3-fluoro-4-methoxybenzenesulfonamide
CID 100703995
N-[(6S)-6-(dimethylamino)-4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl]-3-fluoro-4-methoxybenzenesulfonamide
CID 68956567
N-(4-chlorophenyl)-3-fluoro-4-methoxybenzenesulfonamide
CID 19109264
N-[(9R)-6-oxo-5-azaspiro[3.5]nonan-9-yl]isoquinoline-5-sulfonamide
CID 129481887

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methoxy-N-[(9S)-6-oxo-5-azaspiro[3.5]nonan-9-yl]benzenesulfonamide?
The IUPAC name of 3-fluoro-4-methoxy-N-[(9S)-6-oxo-5-azaspiro[3.5]nonan-9-yl]benzenesulfonamide (CID 129353410) is 3-fluoro-4-methoxy-N-[(9S)-6-oxo-5-azaspiro[3.5]nonan-9-yl]benzenesulfonamide.
What is the SMILES notation for 3-fluoro-4-methoxy-N-[(9S)-6-oxo-5-azaspiro[3.5]nonan-9-yl]benzenesulfonamide?
The canonical SMILES for 3-fluoro-4-methoxy-N-[(9S)-6-oxo-5-azaspiro[3.5]nonan-9-yl]benzenesulfonamide is COc1ccc(S(=O)(=O)N[C@H]2CCC(=O)NC23CCC3)cc1F.
What is the InChIKey of 3-fluoro-4-methoxy-N-[(9S)-6-oxo-5-azaspiro[3.5]nonan-9-yl]benzenesulfonamide?
The InChIKey is UYAZPCOYGJXBTK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H19FN2O4S/c1-22-12-4-3-10(9-11(12)16)23(20,21)18-13-5-6-14(19)17-15(13)7-2-8-15/h3-4,9,13,18H,2,5-8H2,1H3,(H,17,19)/t13-/m0/s1.
What are the key properties of 3-fluoro-4-methoxy-N-[(9S)-6-oxo-5-azaspiro[3.5]nonan-9-yl]benzenesulfonamide?
3-fluoro-4-methoxy-N-[(9S)-6-oxo-5-azaspiro[3.5]nonan-9-yl]benzenesulfonamide has a molecular weight of 342.39 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methoxy-N-[(9S)-6-oxo-5-azaspiro[3.5]nonan-9-yl]benzenesulfonamide is sourced from PubChem (CID 129353410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).