7-(benzenesulfonyl)-2-[(3-fluorophenyl)methyl]-2,7-diazaspiro[3.4]octane

C19H21FN2O2S — CID 97472443

IUPAC7-(benzenesulfonyl)-2-[(3-fluorophenyl)methyl]-2,7-diazaspiro[3.4]octane
SMILESO=S(=O)(c1ccccc1)N1CCC2(CN(Cc3cccc(F)c3)C2)C1
InChIInChI=1S/C19H21FN2O2S/c20-17-6-4-5-16(11-17)12-21-13-19(14-21)9-10-22(15-19)25(23,24)18-7-2-1-3-8-18/h1-8,11H,9-10,12-15H2
InChIKeyPKSZIPZJHUSKPW-UHFFFAOYSA-N
MW360.45 g/mol
LogP2.72
Rot. Bonds4

About 7-(benzenesulfonyl)-2-[(3-fluorophenyl)methyl]-2,7-diazaspiro[3.4]octane

7-(benzenesulfonyl)-2-[(3-fluorophenyl)methyl]-2,7-diazaspiro[3.4]octane (PubChem CID 97472443) has the molecular formula C19H21FN2O2S and a molecular weight of 360.45 g/mol. Its IUPAC name is 7-(benzenesulfonyl)-2-[(3-fluorophenyl)methyl]-2,7-diazaspiro[3.4]octane.

Molecular Properties

Compound Name7-(benzenesulfonyl)-2-[(3-fluorophenyl)methyl]-2,7-diazaspiro[3.4]octane
PubChem CID97472443
Molecular FormulaC19H21FN2O2S
Molecular Weight360.45 g/mol
Exact Mass360.13
IUPAC Name7-(benzenesulfonyl)-2-[(3-fluorophenyl)methyl]-2,7-diazaspiro[3.4]octane
SMILESO=S(=O)(c1ccccc1)N1CCC2(CN(Cc3cccc(F)c3)C2)C1
InChIInChI=1S/C19H21FN2O2S/c20-17-6-4-5-16(11-17)12-21-13-19(14-21)9-10-22(15-19)25(23,24)18-7-2-1-3-8-18/h1-8,11H,9-10,12-15H2
InChIKeyPKSZIPZJHUSKPW-UHFFFAOYSA-N
XLogP2.72
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7-(benzenesulfonyl)-2-[(3-fluorophenyl)methyl]-2,7-diazaspiro[3.4]octane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-(benzenesulfonyl)-2-(pyridin-4-ylmethyl)-2,7-diazaspiro[3.4]octane
CID 97472438
1-[(3-fluorophenyl)methyl]-4-(4-fluorophenyl)sulfonylpiperazine
CID 2901187
(5S)-2-(4-fluorophenyl)sulfonyl-9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decane
CID 97482676
[1-(benzenesulfonyl)piperidin-4-yl]-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 19291254
2-(benzenesulfonyl)-7-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[3.4]octane
CID 97392899
(5R)-9-[(3-methoxyphenyl)methyl]-2-(4-methoxyphenyl)sulfonyl-2,9-diazaspiro[4.5]decane
CID 97482730
1-benzyl-4-[(3-fluorophenyl)methyl]piperazine
CID 764596
2-[(3,4-difluorophenyl)methyl]-7-methylsulfonyl-2,7-diazaspiro[3.4]octane
CID 155872362
4-[(3-fluorophenyl)methyl]piperazine-1-sulfonamide
CID 47147073
1-[(3-fluorophenyl)methyl]-3-hydroxyazetidine-3-carboxylic acid
CID 91012833
7-(benzenesulfonyl)-N-(3-fluorophenyl)-2,7-diazaspiro[3.5]nonane-2-carboxamide
CID 3233457
2-[(3-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonane
CID 82038611

Frequently Asked Questions

What is the IUPAC name of 7-(benzenesulfonyl)-2-[(3-fluorophenyl)methyl]-2,7-diazaspiro[3.4]octane?
The IUPAC name of 7-(benzenesulfonyl)-2-[(3-fluorophenyl)methyl]-2,7-diazaspiro[3.4]octane (CID 97472443) is 7-(benzenesulfonyl)-2-[(3-fluorophenyl)methyl]-2,7-diazaspiro[3.4]octane.
What is the SMILES notation for 7-(benzenesulfonyl)-2-[(3-fluorophenyl)methyl]-2,7-diazaspiro[3.4]octane?
The canonical SMILES for 7-(benzenesulfonyl)-2-[(3-fluorophenyl)methyl]-2,7-diazaspiro[3.4]octane is O=S(=O)(c1ccccc1)N1CCC2(CN(Cc3cccc(F)c3)C2)C1.
What is the InChIKey of 7-(benzenesulfonyl)-2-[(3-fluorophenyl)methyl]-2,7-diazaspiro[3.4]octane?
The InChIKey is PKSZIPZJHUSKPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O2S/c20-17-6-4-5-16(11-17)12-21-13-19(14-21)9-10-22(15-19)25(23,24)18-7-2-1-3-8-18/h1-8,11H,9-10,12-15H2.
What are the key properties of 7-(benzenesulfonyl)-2-[(3-fluorophenyl)methyl]-2,7-diazaspiro[3.4]octane?
7-(benzenesulfonyl)-2-[(3-fluorophenyl)methyl]-2,7-diazaspiro[3.4]octane has a molecular weight of 360.45 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(benzenesulfonyl)-2-[(3-fluorophenyl)methyl]-2,7-diazaspiro[3.4]octane is sourced from PubChem (CID 97472443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).