7-(benzenesulfonyl)-1-[(3-chlorophenyl)methyl]-1,7-diazaspiro[4.4]nonane

C20H23ClN2O2S — CID 118742677

IUPAC7-(benzenesulfonyl)-1-[(3-chlorophenyl)methyl]-1,7-diazaspiro[4.4]nonane
SMILESO=S(=O)(c1ccccc1)N1CCC2(CCCN2Cc2cccc(Cl)c2)C1
InChIInChI=1S/C20H23ClN2O2S/c21-18-7-4-6-17(14-18)15-22-12-5-10-20(22)11-13-23(16-20)26(24,25)19-8-2-1-3-9-19/h1-4,6-9,14H,5,10-13,15-16H2
InChIKeyQLQIXQDMAHSEJY-UHFFFAOYSA-N
MW390.94 g/mol
LogP3.77
Rot. Bonds4

About 7-(benzenesulfonyl)-1-[(3-chlorophenyl)methyl]-1,7-diazaspiro[4.4]nonane

7-(benzenesulfonyl)-1-[(3-chlorophenyl)methyl]-1,7-diazaspiro[4.4]nonane (PubChem CID 118742677) has the molecular formula C20H23ClN2O2S and a molecular weight of 390.94 g/mol. Its IUPAC name is 7-(benzenesulfonyl)-1-[(3-chlorophenyl)methyl]-1,7-diazaspiro[4.4]nonane.

Molecular Properties

Compound Name7-(benzenesulfonyl)-1-[(3-chlorophenyl)methyl]-1,7-diazaspiro[4.4]nonane
PubChem CID118742677
Molecular FormulaC20H23ClN2O2S
Molecular Weight390.94 g/mol
Exact Mass390.12
IUPAC Name7-(benzenesulfonyl)-1-[(3-chlorophenyl)methyl]-1,7-diazaspiro[4.4]nonane
SMILESO=S(=O)(c1ccccc1)N1CCC2(CCCN2Cc2cccc(Cl)c2)C1
InChIInChI=1S/C20H23ClN2O2S/c21-18-7-4-6-17(14-18)15-22-12-5-10-20(22)11-13-23(16-20)26(24,25)19-8-2-1-3-9-19/h1-4,6-9,14H,5,10-13,15-16H2
InChIKeyQLQIXQDMAHSEJY-UHFFFAOYSA-N
XLogP3.77
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.94
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-(benzenesulfonyl)-1-[(3-chlorophenyl)methyl]-1,7-diazaspiro[4.4]nonane;2,2,2-trifluoroacetic acid
CID 118742676
7-(benzenesulfonyl)-1-[(3-fluoro-4-methoxyphenyl)methyl]-1,7-diazaspiro[4.4]nonane
CID 134074739
(5R)-7-(benzenesulfonyl)-1-[(5-methylfuran-2-yl)methyl]-1,7-diazaspiro[4.4]nonane
CID 97473106
7-(benzenesulfonyl)-1-[(5-methylfuran-2-yl)methyl]-1,7-diazaspiro[4.4]nonane
CID 118741147
1-(benzenesulfonyl)-4-[(3-chlorophenyl)methyl]piperazine
CID 1364863
[1-[(3-chlorophenyl)methyl]-1,9-diazaspiro[4.5]decan-9-yl]-pyridin-4-ylmethanone
CID 134078846
1-(1-benzyl-1,9-diazaspiro[4.5]decan-9-yl)-2-(4-chlorophenyl)ethanone
CID 131647501
[(5S)-1-[(3-chlorophenyl)methyl]-1,7-diazaspiro[4.4]nonan-7-yl]-(1,3-thiazol-4-yl)methanone
CID 97393075
3-[1-(benzenesulfonyl)piperidin-4-yl]-1-[(3-chlorophenyl)methyl]-2-methylindole
CID 20932744
N-[1-[1-[(3-chlorophenyl)methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]methanesulfonamide
CID 139413351
7-(benzenesulfonyl)-2-[(3-fluorophenyl)methyl]-2,7-diazaspiro[3.4]octane
CID 97472443
[(4aS,8aS)-7-(3-chlorophenyl)sulfonyl-1-methyl-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridin-4a-yl]methanol
CID 135100894

Frequently Asked Questions

What is the IUPAC name of 7-(benzenesulfonyl)-1-[(3-chlorophenyl)methyl]-1,7-diazaspiro[4.4]nonane?
The IUPAC name of 7-(benzenesulfonyl)-1-[(3-chlorophenyl)methyl]-1,7-diazaspiro[4.4]nonane (CID 118742677) is 7-(benzenesulfonyl)-1-[(3-chlorophenyl)methyl]-1,7-diazaspiro[4.4]nonane.
What is the SMILES notation for 7-(benzenesulfonyl)-1-[(3-chlorophenyl)methyl]-1,7-diazaspiro[4.4]nonane?
The canonical SMILES for 7-(benzenesulfonyl)-1-[(3-chlorophenyl)methyl]-1,7-diazaspiro[4.4]nonane is O=S(=O)(c1ccccc1)N1CCC2(CCCN2Cc2cccc(Cl)c2)C1.
What is the InChIKey of 7-(benzenesulfonyl)-1-[(3-chlorophenyl)methyl]-1,7-diazaspiro[4.4]nonane?
The InChIKey is QLQIXQDMAHSEJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O2S/c21-18-7-4-6-17(14-18)15-22-12-5-10-20(22)11-13-23(16-20)26(24,25)19-8-2-1-3-9-19/h1-4,6-9,14H,5,10-13,15-16H2.
What are the key properties of 7-(benzenesulfonyl)-1-[(3-chlorophenyl)methyl]-1,7-diazaspiro[4.4]nonane?
7-(benzenesulfonyl)-1-[(3-chlorophenyl)methyl]-1,7-diazaspiro[4.4]nonane has a molecular weight of 390.94 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(benzenesulfonyl)-1-[(3-chlorophenyl)methyl]-1,7-diazaspiro[4.4]nonane is sourced from PubChem (CID 118742677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).