2-(4-fluorophenyl)sulfonyl-7-(4-methoxyphenyl)sulfonyl-2,7-diazaspiro[3.5]nonane

C20H23FN2O5S2 — CID 118386146

IUPAC2-(4-fluorophenyl)sulfonyl-7-(4-methoxyphenyl)sulfonyl-2,7-diazaspiro[3.5]nonane
SMILESCOc1ccc(S(=O)(=O)N2CCC3(CC2)CN(S(=O)(=O)c2ccc(F)cc2)C3)cc1
InChIInChI=1S/C20H23FN2O5S2/c1-28-17-4-8-19(9-5-17)29(24,25)22-12-10-20(11-13-22)14-23(15-20)30(26,27)18-6-2-16(21)3-7-18/h2-9H,10-15H2,1H3
InChIKeyMGTLXGAPIBVJJM-UHFFFAOYSA-N
MW454.55 g/mol
LogP2.31
Rot. Bonds5

About 2-(4-fluorophenyl)sulfonyl-7-(4-methoxyphenyl)sulfonyl-2,7-diazaspiro[3.5]nonane

2-(4-fluorophenyl)sulfonyl-7-(4-methoxyphenyl)sulfonyl-2,7-diazaspiro[3.5]nonane (PubChem CID 118386146) has the molecular formula C20H23FN2O5S2 and a molecular weight of 454.55 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfonyl-7-(4-methoxyphenyl)sulfonyl-2,7-diazaspiro[3.5]nonane.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfonyl-7-(4-methoxyphenyl)sulfonyl-2,7-diazaspiro[3.5]nonane
PubChem CID118386146
Molecular FormulaC20H23FN2O5S2
Molecular Weight454.55 g/mol
Exact Mass454.10
IUPAC Name2-(4-fluorophenyl)sulfonyl-7-(4-methoxyphenyl)sulfonyl-2,7-diazaspiro[3.5]nonane
SMILESCOc1ccc(S(=O)(=O)N2CCC3(CC2)CN(S(=O)(=O)c2ccc(F)cc2)C3)cc1
InChIInChI=1S/C20H23FN2O5S2/c1-28-17-4-8-19(9-5-17)29(24,25)22-12-10-20(11-13-22)14-23(15-20)30(26,27)18-6-2-16(21)3-7-18/h2-9H,10-15H2,1H3
InChIKeyMGTLXGAPIBVJJM-UHFFFAOYSA-N
XLogP2.31
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.55
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(5S)-2-(4-fluorophenyl)sulfonyl-9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decane
CID 97482676
2-(4-methoxyphenyl)-1-[7-(4-methoxyphenyl)sulfonyl-2,7-diazaspiro[3.5]nonan-2-yl]propan-1-one
CID 118386224
[1-(4-fluorophenyl)cyclopropyl]-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone
CID 30783883
1-(4-fluorophenyl)sulfonyl-N-[(4-methoxyphenyl)methyl]-4-methylpiperidine-4-carboxamide
CID 52999342
3-(3-fluorophenyl)-1-[7-(4-methoxyphenyl)sulfonyl-2,7-diazaspiro[3.5]nonan-2-yl]propan-1-one
CID 129186399
(3S)-1'-(4-fluorophenyl)sulfonyl-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 95103781
1-(4-fluorophenyl)sulfonyl-3-(4-methoxyphenyl)pyrrolidine
CID 121084236
1-(4-fluorophenyl)sulfonyl-4-(methoxymethyl)piperidine-4-carbonitrile
CID 166188442
N-(4-fluorophenyl)-4-(4-methoxyphenyl)sulfonylpiperazine-1-carboxamide
CID 6468041
(2R)-2-(4-fluorophenoxy)-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 8933880
(5S)-2-(4-methoxyphenyl)sulfonyl-9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decane
CID 97483473
(5R)-9-[(3-methoxyphenyl)methyl]-2-(4-methoxyphenyl)sulfonyl-2,9-diazaspiro[4.5]decane
CID 97482730

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfonyl-7-(4-methoxyphenyl)sulfonyl-2,7-diazaspiro[3.5]nonane?
The IUPAC name of 2-(4-fluorophenyl)sulfonyl-7-(4-methoxyphenyl)sulfonyl-2,7-diazaspiro[3.5]nonane (CID 118386146) is 2-(4-fluorophenyl)sulfonyl-7-(4-methoxyphenyl)sulfonyl-2,7-diazaspiro[3.5]nonane.
What is the SMILES notation for 2-(4-fluorophenyl)sulfonyl-7-(4-methoxyphenyl)sulfonyl-2,7-diazaspiro[3.5]nonane?
The canonical SMILES for 2-(4-fluorophenyl)sulfonyl-7-(4-methoxyphenyl)sulfonyl-2,7-diazaspiro[3.5]nonane is COc1ccc(S(=O)(=O)N2CCC3(CC2)CN(S(=O)(=O)c2ccc(F)cc2)C3)cc1.
What is the InChIKey of 2-(4-fluorophenyl)sulfonyl-7-(4-methoxyphenyl)sulfonyl-2,7-diazaspiro[3.5]nonane?
The InChIKey is MGTLXGAPIBVJJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O5S2/c1-28-17-4-8-19(9-5-17)29(24,25)22-12-10-20(11-13-22)14-23(15-20)30(26,27)18-6-2-16(21)3-7-18/h2-9H,10-15H2,1H3.
What are the key properties of 2-(4-fluorophenyl)sulfonyl-7-(4-methoxyphenyl)sulfonyl-2,7-diazaspiro[3.5]nonane?
2-(4-fluorophenyl)sulfonyl-7-(4-methoxyphenyl)sulfonyl-2,7-diazaspiro[3.5]nonane has a molecular weight of 454.55 g/mol, XLogP of 2.31, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfonyl-7-(4-methoxyphenyl)sulfonyl-2,7-diazaspiro[3.5]nonane is sourced from PubChem (CID 118386146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).