N-(4-fluorophenyl)-2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide

C21H24FN3O3S — CID 53183528

IUPACN-(4-fluorophenyl)-2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide
SMILESO=C(Nc1ccc(F)cc1)C1CN(S(=O)(=O)c2cccnc2)CC12CCCCC2
InChIInChI=1S/C21H24FN3O3S/c22-16-6-8-17(9-7-16)24-20(26)19-14-25(15-21(19)10-2-1-3-11-21)29(27,28)18-5-4-12-23-13-18/h4-9,12-13,19H,1-3,10-11,14-15H2,(H,24,26)
InChIKeyYUGCBUJKLYOFFE-UHFFFAOYSA-N
MW417.51 g/mol
LogP3.43
Rot. Bonds4

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

N-(4-fluorophenyl)-2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide (PubChem CID 53183528) has the molecular formula C21H24FN3O3S and a molecular weight of 417.51 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide
PubChem CID53183528
Molecular FormulaC21H24FN3O3S
Molecular Weight417.51 g/mol
Exact Mass417.15
IUPAC NameN-(4-fluorophenyl)-2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide
SMILESO=C(Nc1ccc(F)cc1)C1CN(S(=O)(=O)c2cccnc2)CC12CCCCC2
InChIInChI=1S/C21H24FN3O3S/c22-16-6-8-17(9-7-16)24-20(26)19-14-25(15-21(19)10-2-1-3-11-21)29(27,28)18-5-4-12-23-13-18/h4-9,12-13,19H,1-3,10-11,14-15H2,(H,24,26)
InChIKeyYUGCBUJKLYOFFE-UHFFFAOYSA-N
XLogP3.43
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide (CID 53183528) is N-(4-fluorophenyl)-2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide is O=C(Nc1ccc(F)cc1)C1CN(S(=O)(=O)c2cccnc2)CC12CCCCC2.
What is the InChIKey of N-(4-fluorophenyl)-2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide?
The InChIKey is YUGCBUJKLYOFFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O3S/c22-16-6-8-17(9-7-16)24-20(26)19-14-25(15-21(19)10-2-1-3-11-21)29(27,28)18-5-4-12-23-13-18/h4-9,12-13,19H,1-3,10-11,14-15H2,(H,24,26).
What are the key properties of N-(4-fluorophenyl)-2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide?
N-(4-fluorophenyl)-2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide has a molecular weight of 417.51 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide is sourced from PubChem (CID 53183528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).