4-fluoro-3-[(5R)-6-oxo-2,7-diazaspiro[4.5]decane-2-carbonyl]benzenesulfonamide

C15H18FN3O4S — CID 97139609

IUPAC4-fluoro-3-[(5R)-6-oxo-2,7-diazaspiro[4.5]decane-2-carbonyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(F)c(C(=O)N2CC[C@]3(CCCNC3=O)C2)c1
InChIInChI=1S/C15H18FN3O4S/c16-12-3-2-10(24(17,22)23)8-11(12)13(20)19-7-5-15(9-19)4-1-6-18-14(15)21/h2-3,8H,1,4-7,9H2,(H,18,21)(H2,17,22,23)/t15-/m1/s1
InChIKeyPKZMGMIGTKNMSR-OAHLLOKOSA-N
MW355.39 g/mol
LogP0.22
Rot. Bonds2

About 4-fluoro-3-[(5R)-6-oxo-2,7-diazaspiro[4.5]decane-2-carbonyl]benzenesulfonamide

4-fluoro-3-[(5R)-6-oxo-2,7-diazaspiro[4.5]decane-2-carbonyl]benzenesulfonamide (PubChem CID 97139609) has the molecular formula C15H18FN3O4S and a molecular weight of 355.39 g/mol. Its IUPAC name is 4-fluoro-3-[(5R)-6-oxo-2,7-diazaspiro[4.5]decane-2-carbonyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-3-[(5R)-6-oxo-2,7-diazaspiro[4.5]decane-2-carbonyl]benzenesulfonamide
PubChem CID97139609
Molecular FormulaC15H18FN3O4S
Molecular Weight355.39 g/mol
Exact Mass355.10
IUPAC Name4-fluoro-3-[(5R)-6-oxo-2,7-diazaspiro[4.5]decane-2-carbonyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(F)c(C(=O)N2CC[C@]3(CCCNC3=O)C2)c1
InChIInChI=1S/C15H18FN3O4S/c16-12-3-2-10(24(17,22)23)8-11(12)13(20)19-7-5-15(9-19)4-1-6-18-14(15)21/h2-3,8H,1,4-7,9H2,(H,18,21)(H2,17,22,23)/t15-/m1/s1
InChIKeyPKZMGMIGTKNMSR-OAHLLOKOSA-N
XLogP0.22
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-fluoro-3-[(5R)-6-oxo-2,7-diazaspiro[4.5]decane-2-carbonyl]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-[(4aS,8aR)-4a-(hydroxymethyl)-1,2,3,4,5,7,8,8a-octahydro-1,6-naphthyridine-6-carbonyl]-4-fluorobenzenesulfonamide
CID 56897367
4-fluoro-3-(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carbonyl)benzenesulfonamide
CID 72848716
2-(1-ethyl-2,5-dimethylpyrrole-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72896595
4-fluoro-3-(1-methyl-9-oxa-1,4-diazaspiro[5.5]undecane-4-carbonyl)benzenesulfonamide
CID 138806856
3-[(4R)-4-aminoazepane-1-carbonyl]-4-fluorobenzenesulfonamide
CID 95716407
4-fluoro-3-(4-methoxypiperidine-1-carbonyl)benzenesulfonamide
CID 65388554
(5S)-2-(3-chloro-5-methoxybenzoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97128167
2-(3-chloro-5-methoxybenzoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72880026
(5-amino-2-fluorophenyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 103355036
3-[(1S,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonane-7-carbonyl]-4-fluorobenzenesulfonamide
CID 133117114
2-(4-methylpiperazine-1-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72937627
3-[(3S,4R)-3-amino-4-cyclopropylpyrrolidine-1-carbonyl]-4-fluorobenzenesulfonamide
CID 133124417

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-[(5R)-6-oxo-2,7-diazaspiro[4.5]decane-2-carbonyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-3-[(5R)-6-oxo-2,7-diazaspiro[4.5]decane-2-carbonyl]benzenesulfonamide (CID 97139609) is 4-fluoro-3-[(5R)-6-oxo-2,7-diazaspiro[4.5]decane-2-carbonyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-3-[(5R)-6-oxo-2,7-diazaspiro[4.5]decane-2-carbonyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-3-[(5R)-6-oxo-2,7-diazaspiro[4.5]decane-2-carbonyl]benzenesulfonamide is NS(=O)(=O)c1ccc(F)c(C(=O)N2CC[C@]3(CCCNC3=O)C2)c1.
What is the InChIKey of 4-fluoro-3-[(5R)-6-oxo-2,7-diazaspiro[4.5]decane-2-carbonyl]benzenesulfonamide?
The InChIKey is PKZMGMIGTKNMSR-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H18FN3O4S/c16-12-3-2-10(24(17,22)23)8-11(12)13(20)19-7-5-15(9-19)4-1-6-18-14(15)21/h2-3,8H,1,4-7,9H2,(H,18,21)(H2,17,22,23)/t15-/m1/s1.
What are the key properties of 4-fluoro-3-[(5R)-6-oxo-2,7-diazaspiro[4.5]decane-2-carbonyl]benzenesulfonamide?
4-fluoro-3-[(5R)-6-oxo-2,7-diazaspiro[4.5]decane-2-carbonyl]benzenesulfonamide has a molecular weight of 355.39 g/mol, XLogP of 0.22, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-[(5R)-6-oxo-2,7-diazaspiro[4.5]decane-2-carbonyl]benzenesulfonamide is sourced from PubChem (CID 97139609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).