2-(2,4-difluorophenyl)sulfonyl-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one

C17H22F2N2O3S — CID 72839840

IUPAC2-(2,4-difluorophenyl)sulfonyl-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one
SMILESCC(C)N1CCCC2(CCN(S(=O)(=O)c3ccc(F)cc3F)C2)C1=O
InChIInChI=1S/C17H22F2N2O3S/c1-12(2)21-8-3-6-17(16(21)22)7-9-20(11-17)25(23,24)15-5-4-13(18)10-14(15)19/h4-5,10,12H,3,6-9,11H2,1-2H3
InChIKeyYOZYEXNZEJMVTI-UHFFFAOYSA-N
MW372.44 g/mol
LogP2.38
Rot. Bonds3

About 2-(2,4-difluorophenyl)sulfonyl-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one

2-(2,4-difluorophenyl)sulfonyl-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 72839840) has the molecular formula C17H22F2N2O3S and a molecular weight of 372.44 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)sulfonyl-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)sulfonyl-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one
PubChem CID72839840
Molecular FormulaC17H22F2N2O3S
Molecular Weight372.44 g/mol
Exact Mass372.13
IUPAC Name2-(2,4-difluorophenyl)sulfonyl-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one
SMILESCC(C)N1CCCC2(CCN(S(=O)(=O)c3ccc(F)cc3F)C2)C1=O
InChIInChI=1S/C17H22F2N2O3S/c1-12(2)21-8-3-6-17(16(21)22)7-9-20(11-17)25(23,24)15-5-4-13(18)10-14(15)19/h4-5,10,12H,3,6-9,11H2,1-2H3
InChIKeyYOZYEXNZEJMVTI-UHFFFAOYSA-N
XLogP2.38
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)sulfonyl-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 2-(2,4-difluorophenyl)sulfonyl-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one (CID 72839840) is 2-(2,4-difluorophenyl)sulfonyl-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 2-(2,4-difluorophenyl)sulfonyl-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 2-(2,4-difluorophenyl)sulfonyl-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one is CC(C)N1CCCC2(CCN(S(=O)(=O)c3ccc(F)cc3F)C2)C1=O.
What is the InChIKey of 2-(2,4-difluorophenyl)sulfonyl-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is YOZYEXNZEJMVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F2N2O3S/c1-12(2)21-8-3-6-17(16(21)22)7-9-20(11-17)25(23,24)15-5-4-13(18)10-14(15)19/h4-5,10,12H,3,6-9,11H2,1-2H3.
What are the key properties of 2-(2,4-difluorophenyl)sulfonyl-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one?
2-(2,4-difluorophenyl)sulfonyl-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 372.44 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)sulfonyl-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 72839840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).