7-[(3,4-difluorophenyl)methyl]-N,N-dimethyl-6-oxo-2,7-diazaspiro[4.5]decane-2-sulfonamide

C17H23F2N3O3S — CID 45242700

IUPAC7-[(3,4-difluorophenyl)methyl]-N,N-dimethyl-6-oxo-2,7-diazaspiro[4.5]decane-2-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCC2(CCCN(Cc3ccc(F)c(F)c3)C2=O)C1
InChIInChI=1S/C17H23F2N3O3S/c1-20(2)26(24,25)22-9-7-17(12-22)6-3-8-21(16(17)23)11-13-4-5-14(18)15(19)10-13/h4-5,10H,3,6-9,11-12H2,1-2H3
InChIKeyVNKOXACDERDTBX-UHFFFAOYSA-N
MW387.45 g/mol
LogP1.59
Rot. Bonds4

About 7-[(3,4-difluorophenyl)methyl]-N,N-dimethyl-6-oxo-2,7-diazaspiro[4.5]decane-2-sulfonamide

7-[(3,4-difluorophenyl)methyl]-N,N-dimethyl-6-oxo-2,7-diazaspiro[4.5]decane-2-sulfonamide (PubChem CID 45242700) has the molecular formula C17H23F2N3O3S and a molecular weight of 387.45 g/mol. Its IUPAC name is 7-[(3,4-difluorophenyl)methyl]-N,N-dimethyl-6-oxo-2,7-diazaspiro[4.5]decane-2-sulfonamide.

Molecular Properties

Compound Name7-[(3,4-difluorophenyl)methyl]-N,N-dimethyl-6-oxo-2,7-diazaspiro[4.5]decane-2-sulfonamide
PubChem CID45242700
Molecular FormulaC17H23F2N3O3S
Molecular Weight387.45 g/mol
Exact Mass387.14
IUPAC Name7-[(3,4-difluorophenyl)methyl]-N,N-dimethyl-6-oxo-2,7-diazaspiro[4.5]decane-2-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCC2(CCCN(Cc3ccc(F)c(F)c3)C2=O)C1
InChIInChI=1S/C17H23F2N3O3S/c1-20(2)26(24,25)22-9-7-17(12-22)6-3-8-21(16(17)23)11-13-4-5-14(18)15(19)10-13/h4-5,10H,3,6-9,11-12H2,1-2H3
InChIKeyVNKOXACDERDTBX-UHFFFAOYSA-N
XLogP1.59
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.45
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-[(3,4-difluorophenyl)methyl]-N,N-dimethyl-6-oxo-2,7-diazaspiro[4.5]decane-2-sulfonamide?
The IUPAC name of 7-[(3,4-difluorophenyl)methyl]-N,N-dimethyl-6-oxo-2,7-diazaspiro[4.5]decane-2-sulfonamide (CID 45242700) is 7-[(3,4-difluorophenyl)methyl]-N,N-dimethyl-6-oxo-2,7-diazaspiro[4.5]decane-2-sulfonamide.
What is the SMILES notation for 7-[(3,4-difluorophenyl)methyl]-N,N-dimethyl-6-oxo-2,7-diazaspiro[4.5]decane-2-sulfonamide?
The canonical SMILES for 7-[(3,4-difluorophenyl)methyl]-N,N-dimethyl-6-oxo-2,7-diazaspiro[4.5]decane-2-sulfonamide is CN(C)S(=O)(=O)N1CCC2(CCCN(Cc3ccc(F)c(F)c3)C2=O)C1.
What is the InChIKey of 7-[(3,4-difluorophenyl)methyl]-N,N-dimethyl-6-oxo-2,7-diazaspiro[4.5]decane-2-sulfonamide?
The InChIKey is VNKOXACDERDTBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F2N3O3S/c1-20(2)26(24,25)22-9-7-17(12-22)6-3-8-21(16(17)23)11-13-4-5-14(18)15(19)10-13/h4-5,10H,3,6-9,11-12H2,1-2H3.
What are the key properties of 7-[(3,4-difluorophenyl)methyl]-N,N-dimethyl-6-oxo-2,7-diazaspiro[4.5]decane-2-sulfonamide?
7-[(3,4-difluorophenyl)methyl]-N,N-dimethyl-6-oxo-2,7-diazaspiro[4.5]decane-2-sulfonamide has a molecular weight of 387.45 g/mol, XLogP of 1.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3,4-difluorophenyl)methyl]-N,N-dimethyl-6-oxo-2,7-diazaspiro[4.5]decane-2-sulfonamide is sourced from PubChem (CID 45242700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).