7-(benzenesulfonyl)-2-(2-methylphenyl)-2,7-diazaspiro[4.4]nonan-3-one

C20H22N2O3S — CID 118738803

IUPAC7-(benzenesulfonyl)-2-(2-methylphenyl)-2,7-diazaspiro[4.4]nonan-3-one
SMILESCc1ccccc1N1CC2(CCN(S(=O)(=O)c3ccccc3)C2)CC1=O
InChIInChI=1S/C20H22N2O3S/c1-16-7-5-6-10-18(16)22-15-20(13-19(22)23)11-12-21(14-20)26(24,25)17-8-3-2-4-9-17/h2-10H,11-15H2,1H3
InChIKeyFZRLJPWNBSZUHK-UHFFFAOYSA-N
MW370.47 g/mol
LogP2.81
Rot. Bonds3

About 7-(benzenesulfonyl)-2-(2-methylphenyl)-2,7-diazaspiro[4.4]nonan-3-one

7-(benzenesulfonyl)-2-(2-methylphenyl)-2,7-diazaspiro[4.4]nonan-3-one (PubChem CID 118738803) has the molecular formula C20H22N2O3S and a molecular weight of 370.47 g/mol. Its IUPAC name is 7-(benzenesulfonyl)-2-(2-methylphenyl)-2,7-diazaspiro[4.4]nonan-3-one.

Molecular Properties

Compound Name7-(benzenesulfonyl)-2-(2-methylphenyl)-2,7-diazaspiro[4.4]nonan-3-one
PubChem CID118738803
Molecular FormulaC20H22N2O3S
Molecular Weight370.47 g/mol
Exact Mass370.14
IUPAC Name7-(benzenesulfonyl)-2-(2-methylphenyl)-2,7-diazaspiro[4.4]nonan-3-one
SMILESCc1ccccc1N1CC2(CCN(S(=O)(=O)c3ccccc3)C2)CC1=O
InChIInChI=1S/C20H22N2O3S/c1-16-7-5-6-10-18(16)22-15-20(13-19(22)23)11-12-21(14-20)26(24,25)17-8-3-2-4-9-17/h2-10H,11-15H2,1H3
InChIKeyFZRLJPWNBSZUHK-UHFFFAOYSA-N
XLogP2.81
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(benzenesulfonyl)-2-(2-methylphenyl)-2,7-diazaspiro[4.4]nonan-3-one?
The IUPAC name of 7-(benzenesulfonyl)-2-(2-methylphenyl)-2,7-diazaspiro[4.4]nonan-3-one (CID 118738803) is 7-(benzenesulfonyl)-2-(2-methylphenyl)-2,7-diazaspiro[4.4]nonan-3-one.
What is the SMILES notation for 7-(benzenesulfonyl)-2-(2-methylphenyl)-2,7-diazaspiro[4.4]nonan-3-one?
The canonical SMILES for 7-(benzenesulfonyl)-2-(2-methylphenyl)-2,7-diazaspiro[4.4]nonan-3-one is Cc1ccccc1N1CC2(CCN(S(=O)(=O)c3ccccc3)C2)CC1=O.
What is the InChIKey of 7-(benzenesulfonyl)-2-(2-methylphenyl)-2,7-diazaspiro[4.4]nonan-3-one?
The InChIKey is FZRLJPWNBSZUHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3S/c1-16-7-5-6-10-18(16)22-15-20(13-19(22)23)11-12-21(14-20)26(24,25)17-8-3-2-4-9-17/h2-10H,11-15H2,1H3.
What are the key properties of 7-(benzenesulfonyl)-2-(2-methylphenyl)-2,7-diazaspiro[4.4]nonan-3-one?
7-(benzenesulfonyl)-2-(2-methylphenyl)-2,7-diazaspiro[4.4]nonan-3-one has a molecular weight of 370.47 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(benzenesulfonyl)-2-(2-methylphenyl)-2,7-diazaspiro[4.4]nonan-3-one is sourced from PubChem (CID 118738803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).