4-fluoro-3-(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carbonyl)benzenesulfonamide

C15H18FN3O5S — CID 72848716

IUPAC4-fluoro-3-(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carbonyl)benzenesulfonamide
SMILESCN1CC2(CCN(C(=O)c3cc(S(N)(=O)=O)ccc3F)CC2)OC1=O
InChIInChI=1S/C15H18FN3O5S/c1-18-9-15(24-14(18)21)4-6-19(7-5-15)13(20)11-8-10(25(17,22)23)2-3-12(11)16/h2-3,8H,4-7,9H2,1H3,(H2,17,22,23)
InChIKeyLQBNPWSFZZGEJI-UHFFFAOYSA-N
MW371.39 g/mol
LogP0.53
Rot. Bonds2

About 4-fluoro-3-(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carbonyl)benzenesulfonamide

4-fluoro-3-(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carbonyl)benzenesulfonamide (PubChem CID 72848716) has the molecular formula C15H18FN3O5S and a molecular weight of 371.39 g/mol. Its IUPAC name is 4-fluoro-3-(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carbonyl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-3-(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carbonyl)benzenesulfonamide
PubChem CID72848716
Molecular FormulaC15H18FN3O5S
Molecular Weight371.39 g/mol
Exact Mass371.10
IUPAC Name4-fluoro-3-(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carbonyl)benzenesulfonamide
SMILESCN1CC2(CCN(C(=O)c3cc(S(N)(=O)=O)ccc3F)CC2)OC1=O
InChIInChI=1S/C15H18FN3O5S/c1-18-9-15(24-14(18)21)4-6-19(7-5-15)13(20)11-8-10(25(17,22)23)2-3-12(11)16/h2-3,8H,4-7,9H2,1H3,(H2,17,22,23)
InChIKeyLQBNPWSFZZGEJI-UHFFFAOYSA-N
XLogP0.53
TPSA110.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-3-(1-methyl-9-oxa-1,4-diazaspiro[5.5]undecane-4-carbonyl)benzenesulfonamide
CID 138806856
6-methyl-5-(7-methyl-6-oxo-5-oxa-2,7-diazaspiro[3.4]octane-2-carbonyl)pyridine-3-sulfonamide
CID 138005250
4-fluoro-3-[(5R)-6-oxo-2,7-diazaspiro[4.5]decane-2-carbonyl]benzenesulfonamide
CID 97139609
4-fluoro-3-(4-methoxypiperidine-1-carbonyl)benzenesulfonamide
CID 65388554
8-(7-fluoro-2-methylquinoline-4-carbonyl)-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70709661
8-[2-(2-bromo-4-chlorophenyl)acetyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 166330448
3-[(1S,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonane-7-carbonyl]-4-fluorobenzenesulfonamide
CID 133117114
3-[(4R)-4-aminoazepane-1-carbonyl]-4-fluorobenzenesulfonamide
CID 95716407
3-methyl-8-[2-(3-methylphenyl)benzoyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70740003
4-bromo-3-(4,4-dimethylpiperidine-1-carbonyl)benzenesulfonamide
CID 62922553
3-[(4aS,8aR)-4a-(hydroxymethyl)-1,2,3,4,5,7,8,8a-octahydro-1,6-naphthyridine-6-carbonyl]-4-fluorobenzenesulfonamide
CID 56897367
3-methyl-7-(2-methyl-5-propan-2-ylfuran-3-carbonyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 56899532

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carbonyl)benzenesulfonamide?
The IUPAC name of 4-fluoro-3-(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carbonyl)benzenesulfonamide (CID 72848716) is 4-fluoro-3-(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carbonyl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-3-(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carbonyl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-3-(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carbonyl)benzenesulfonamide is CN1CC2(CCN(C(=O)c3cc(S(N)(=O)=O)ccc3F)CC2)OC1=O.
What is the InChIKey of 4-fluoro-3-(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carbonyl)benzenesulfonamide?
The InChIKey is LQBNPWSFZZGEJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O5S/c1-18-9-15(24-14(18)21)4-6-19(7-5-15)13(20)11-8-10(25(17,22)23)2-3-12(11)16/h2-3,8H,4-7,9H2,1H3,(H2,17,22,23).
What are the key properties of 4-fluoro-3-(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carbonyl)benzenesulfonamide?
4-fluoro-3-(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carbonyl)benzenesulfonamide has a molecular weight of 371.39 g/mol, XLogP of 0.53, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carbonyl)benzenesulfonamide is sourced from PubChem (CID 72848716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).