5-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-2-fluoro-N-(3-fluorophenyl)benzamide

C20H20F2N2O5S — CID 4129269

IUPAC5-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-2-fluoro-N-(3-fluorophenyl)benzamide
SMILESO=C(Nc1cccc(F)c1)c1cc(S(=O)(=O)N2CCC3(CC2)OCCO3)ccc1F
InChIInChI=1S/C20H20F2N2O5S/c21-14-2-1-3-15(12-14)23-19(25)17-13-16(4-5-18(17)22)30(26,27)24-8-6-20(7-9-24)28-10-11-29-20/h1-5,12-13H,6-11H2,(H,23,25)
InChIKeyBNHDXGWRWNWJJS-UHFFFAOYSA-N
MW438.45 g/mol
LogP2.74
Rot. Bonds4

About 5-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-2-fluoro-N-(3-fluorophenyl)benzamide

5-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-2-fluoro-N-(3-fluorophenyl)benzamide (PubChem CID 4129269) has the molecular formula C20H20F2N2O5S and a molecular weight of 438.45 g/mol. Its IUPAC name is 5-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-2-fluoro-N-(3-fluorophenyl)benzamide.

Molecular Properties

Compound Name5-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-2-fluoro-N-(3-fluorophenyl)benzamide
PubChem CID4129269
Molecular FormulaC20H20F2N2O5S
Molecular Weight438.45 g/mol
Exact Mass438.11
IUPAC Name5-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-2-fluoro-N-(3-fluorophenyl)benzamide
SMILESO=C(Nc1cccc(F)c1)c1cc(S(=O)(=O)N2CCC3(CC2)OCCO3)ccc1F
InChIInChI=1S/C20H20F2N2O5S/c21-14-2-1-3-15(12-14)23-19(25)17-13-16(4-5-18(17)22)30(26,27)24-8-6-20(7-9-24)28-10-11-29-20/h1-5,12-13H,6-11H2,(H,23,25)
InChIKeyBNHDXGWRWNWJJS-UHFFFAOYSA-N
XLogP2.74
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.45
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-difluorophenyl)-5-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-2-fluorobenzamide
CID 4115341
N-(2,4-dichlorophenyl)-5-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-2-fluorobenzamide
CID 3589301
N-(3-acetylphenyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
CID 9095795
2-chloro-N-(3-fluorophenyl)-5-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 99969383
5-(2,3-dihydroindol-1-ylsulfonyl)-2-fluoro-N-(3-fluorophenyl)benzamide
CID 4176225
N-(3-chloro-4-fluorophenyl)-5-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-3-methyl-1-benzofuran-2-carboxamide
CID 4530457
4-(azepan-1-ylsulfonyl)-N-(3-fluorophenyl)benzamide
CID 2665307
5-(azepan-1-ylsulfonyl)-N-(4-chlorophenyl)-2-fluorobenzamide
CID 4085587
2-fluoro-N-(3-piperidin-1-ylsulfonylphenyl)benzamide
CID 7759853
2-chloro-4,5-difluoro-N-(3-morpholin-4-ylsulfonylphenyl)benzamide
CID 4803040
N-(3-chloro-2-fluorophenyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
CID 26309220
4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(3-fluorophenyl)pyridine-2-carboxamide
CID 109215730

Frequently Asked Questions

What is the IUPAC name of 5-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-2-fluoro-N-(3-fluorophenyl)benzamide?
The IUPAC name of 5-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-2-fluoro-N-(3-fluorophenyl)benzamide (CID 4129269) is 5-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-2-fluoro-N-(3-fluorophenyl)benzamide.
What is the SMILES notation for 5-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-2-fluoro-N-(3-fluorophenyl)benzamide?
The canonical SMILES for 5-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-2-fluoro-N-(3-fluorophenyl)benzamide is O=C(Nc1cccc(F)c1)c1cc(S(=O)(=O)N2CCC3(CC2)OCCO3)ccc1F.
What is the InChIKey of 5-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-2-fluoro-N-(3-fluorophenyl)benzamide?
The InChIKey is BNHDXGWRWNWJJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N2O5S/c21-14-2-1-3-15(12-14)23-19(25)17-13-16(4-5-18(17)22)30(26,27)24-8-6-20(7-9-24)28-10-11-29-20/h1-5,12-13H,6-11H2,(H,23,25).
What are the key properties of 5-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-2-fluoro-N-(3-fluorophenyl)benzamide?
5-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-2-fluoro-N-(3-fluorophenyl)benzamide has a molecular weight of 438.45 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-2-fluoro-N-(3-fluorophenyl)benzamide is sourced from PubChem (CID 4129269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).