N-(2,4-difluorophenyl)-8-pyridin-3-ylsulfonyl-1,12-dioxa-4,8-diazaspiro[5.6]dodecane-4-carboxamide

C20H22F2N4O5S — CID 172884458

IUPACN-(2,4-difluorophenyl)-8-pyridin-3-ylsulfonyl-1,12-dioxa-4,8-diazaspiro[5.6]dodecane-4-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)N1CCOC2(C1)CN(S(=O)(=O)c1cccnc1)CCCO2
InChIInChI=1S/C20H22F2N4O5S/c21-15-4-5-18(17(22)11-15)24-19(27)25-8-10-31-20(13-25)14-26(7-2-9-30-20)32(28,29)16-3-1-6-23-12-16/h1,3-6,11-12H,2,7-10,13-14H2,(H,24,27)
InChIKeyGBARFYBBCAYHMC-UHFFFAOYSA-N
MW468.48 g/mol
LogP2.03
Rot. Bonds3

About N-(2,4-difluorophenyl)-8-pyridin-3-ylsulfonyl-1,12-dioxa-4,8-diazaspiro[5.6]dodecane-4-carboxamide

N-(2,4-difluorophenyl)-8-pyridin-3-ylsulfonyl-1,12-dioxa-4,8-diazaspiro[5.6]dodecane-4-carboxamide (PubChem CID 172884458) has the molecular formula C20H22F2N4O5S and a molecular weight of 468.48 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-8-pyridin-3-ylsulfonyl-1,12-dioxa-4,8-diazaspiro[5.6]dodecane-4-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-8-pyridin-3-ylsulfonyl-1,12-dioxa-4,8-diazaspiro[5.6]dodecane-4-carboxamide
PubChem CID172884458
Molecular FormulaC20H22F2N4O5S
Molecular Weight468.48 g/mol
Exact Mass468.13
IUPAC NameN-(2,4-difluorophenyl)-8-pyridin-3-ylsulfonyl-1,12-dioxa-4,8-diazaspiro[5.6]dodecane-4-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)N1CCOC2(C1)CN(S(=O)(=O)c1cccnc1)CCCO2
InChIInChI=1S/C20H22F2N4O5S/c21-15-4-5-18(17(22)11-15)24-19(27)25-8-10-31-20(13-25)14-26(7-2-9-30-20)32(28,29)16-3-1-6-23-12-16/h1,3-6,11-12H,2,7-10,13-14H2,(H,24,27)
InChIKeyGBARFYBBCAYHMC-UHFFFAOYSA-N
XLogP2.03
TPSA101.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.48
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

10-N-benzyl-4-N-(2,4-difluorophenyl)-1,7-dioxa-4,10-diazaspiro[5.5]undecane-4,10-dicarboxamide
CID 171318547
4-N-(2-fluorophenyl)-8-N-(4-fluorophenyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecane-4,8-dicarboxamide
CID 172884801
(2-methyl-1,3-thiazol-4-yl)-(4-pyridin-3-ylsulfonyl-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl)methanone
CID 172884491
N-(3-morpholin-4-ylsulfonylphenyl)-4-pyridin-3-ylsulfonylpiperazine-1-carboxamide
CID 55697164
8-[(3-phenyl-1,2-oxazol-5-yl)methyl]-4-pyridin-3-ylsulfonyl-1,12-dioxa-4,8-diazaspiro[5.6]dodecane
CID 172884486
N,N,2-trimethyl-4-pyridin-3-ylsulfonylmorpholine-2-carboxamide
CID 110253727
N-(4-bromo-2-fluorophenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 20851605
[4-(2-fluorophenyl)sulfonyl-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]-(1,3-oxazol-5-yl)methanone
CID 172884734
1-(4-cyclohexylsulfonyl-1,7-dioxa-4,10-diazaspiro[5.5]undecan-10-yl)-2-pyridin-3-ylethanone
CID 171318562
2,4-difluoro-N-[2-oxo-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)ethyl]benzamide
CID 55638612
2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane
CID 71871364
N-(2,4-difluorophenyl)-4-(morpholine-4-carbonyl)piperazine-1-carboxamide
CID 51307317

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-8-pyridin-3-ylsulfonyl-1,12-dioxa-4,8-diazaspiro[5.6]dodecane-4-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-8-pyridin-3-ylsulfonyl-1,12-dioxa-4,8-diazaspiro[5.6]dodecane-4-carboxamide (CID 172884458) is N-(2,4-difluorophenyl)-8-pyridin-3-ylsulfonyl-1,12-dioxa-4,8-diazaspiro[5.6]dodecane-4-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-8-pyridin-3-ylsulfonyl-1,12-dioxa-4,8-diazaspiro[5.6]dodecane-4-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-8-pyridin-3-ylsulfonyl-1,12-dioxa-4,8-diazaspiro[5.6]dodecane-4-carboxamide is O=C(Nc1ccc(F)cc1F)N1CCOC2(C1)CN(S(=O)(=O)c1cccnc1)CCCO2.
What is the InChIKey of N-(2,4-difluorophenyl)-8-pyridin-3-ylsulfonyl-1,12-dioxa-4,8-diazaspiro[5.6]dodecane-4-carboxamide?
The InChIKey is GBARFYBBCAYHMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N4O5S/c21-15-4-5-18(17(22)11-15)24-19(27)25-8-10-31-20(13-25)14-26(7-2-9-30-20)32(28,29)16-3-1-6-23-12-16/h1,3-6,11-12H,2,7-10,13-14H2,(H,24,27).
What are the key properties of N-(2,4-difluorophenyl)-8-pyridin-3-ylsulfonyl-1,12-dioxa-4,8-diazaspiro[5.6]dodecane-4-carboxamide?
N-(2,4-difluorophenyl)-8-pyridin-3-ylsulfonyl-1,12-dioxa-4,8-diazaspiro[5.6]dodecane-4-carboxamide has a molecular weight of 468.48 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-8-pyridin-3-ylsulfonyl-1,12-dioxa-4,8-diazaspiro[5.6]dodecane-4-carboxamide is sourced from PubChem (CID 172884458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).