N-(2,5-difluorophenyl)-2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide

C21H23F2N3O3S — CID 53183510

IUPACN-(2,5-difluorophenyl)-2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide
SMILESO=C(Nc1cc(F)ccc1F)C1CN(S(=O)(=O)c2cccnc2)CC12CCCCC2
InChIInChI=1S/C21H23F2N3O3S/c22-15-6-7-18(23)19(11-15)25-20(27)17-13-26(14-21(17)8-2-1-3-9-21)30(28,29)16-5-4-10-24-12-16/h4-7,10-12,17H,1-3,8-9,13-14H2,(H,25,27)
InChIKeyREZJRIYPISLICP-UHFFFAOYSA-N
MW435.50 g/mol
LogP3.57
Rot. Bonds4

About N-(2,5-difluorophenyl)-2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide

N-(2,5-difluorophenyl)-2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide (PubChem CID 53183510) has the molecular formula C21H23F2N3O3S and a molecular weight of 435.50 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)-2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide.

Molecular Properties

Compound NameN-(2,5-difluorophenyl)-2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide
PubChem CID53183510
Molecular FormulaC21H23F2N3O3S
Molecular Weight435.50 g/mol
Exact Mass435.14
IUPAC NameN-(2,5-difluorophenyl)-2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide
SMILESO=C(Nc1cc(F)ccc1F)C1CN(S(=O)(=O)c2cccnc2)CC12CCCCC2
InChIInChI=1S/C21H23F2N3O3S/c22-15-6-7-18(23)19(11-15)25-20(27)17-13-26(14-21(17)8-2-1-3-9-21)30(28,29)16-5-4-10-24-12-16/h4-7,10-12,17H,1-3,8-9,13-14H2,(H,25,27)
InChIKeyREZJRIYPISLICP-UHFFFAOYSA-N
XLogP3.57
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.50
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluorophenyl)-2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide?
The IUPAC name of N-(2,5-difluorophenyl)-2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide (CID 53183510) is N-(2,5-difluorophenyl)-2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide.
What is the SMILES notation for N-(2,5-difluorophenyl)-2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide?
The canonical SMILES for N-(2,5-difluorophenyl)-2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide is O=C(Nc1cc(F)ccc1F)C1CN(S(=O)(=O)c2cccnc2)CC12CCCCC2.
What is the InChIKey of N-(2,5-difluorophenyl)-2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide?
The InChIKey is REZJRIYPISLICP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F2N3O3S/c22-15-6-7-18(23)19(11-15)25-20(27)17-13-26(14-21(17)8-2-1-3-9-21)30(28,29)16-5-4-10-24-12-16/h4-7,10-12,17H,1-3,8-9,13-14H2,(H,25,27).
What are the key properties of N-(2,5-difluorophenyl)-2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide?
N-(2,5-difluorophenyl)-2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide has a molecular weight of 435.50 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluorophenyl)-2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide is sourced from PubChem (CID 53183510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).