3-(4-hydroxy-1-azaspiro[4.4]nonane-1-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide

C19H23N3O5S — CID 166402507

IUPAC3-(4-hydroxy-1-azaspiro[4.4]nonane-1-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2cccc(C(=O)N3CCC(O)C34CCCC4)c2)no1
InChIInChI=1S/C19H23N3O5S/c1-13-11-17(20-27-13)21-28(25,26)15-6-4-5-14(12-15)18(24)22-10-7-16(23)19(22)8-2-3-9-19/h4-6,11-12,16,23H,2-3,7-10H2,1H3,(H,20,21)
InChIKeyXVNDFSZSDYBLLR-UHFFFAOYSA-N
MW405.48 g/mol
LogP2.30
Rot. Bonds4

About 3-(4-hydroxy-1-azaspiro[4.4]nonane-1-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide

3-(4-hydroxy-1-azaspiro[4.4]nonane-1-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide (PubChem CID 166402507) has the molecular formula C19H23N3O5S and a molecular weight of 405.48 g/mol. Its IUPAC name is 3-(4-hydroxy-1-azaspiro[4.4]nonane-1-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-(4-hydroxy-1-azaspiro[4.4]nonane-1-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
PubChem CID166402507
Molecular FormulaC19H23N3O5S
Molecular Weight405.48 g/mol
Exact Mass405.14
IUPAC Name3-(4-hydroxy-1-azaspiro[4.4]nonane-1-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2cccc(C(=O)N3CCC(O)C34CCCC4)c2)no1
InChIInChI=1S/C19H23N3O5S/c1-13-11-17(20-27-13)21-28(25,26)15-6-4-5-14(12-15)18(24)22-10-7-16(23)19(22)8-2-3-9-19/h4-6,11-12,16,23H,2-3,7-10H2,1H3,(H,20,21)
InChIKeyXVNDFSZSDYBLLR-UHFFFAOYSA-N
XLogP2.30
TPSA112.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-(4-hydroxy-1-azaspiro[4.4]nonane-1-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide 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

3-(4-acetylpiperazine-1-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 109064428
3-[4-[hydroxy-(3-methoxyphenyl)methyl]piperidine-1-carbonyl]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 166323315
3-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide
CID 109063959
N-cyclopropyl-4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]benzamide
CID 109058391
N-(4-methoxyphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]benzamide
CID 27229043
3-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]-N-pentylbenzamide
CID 39157474
3-amino-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 14150694
3-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]-N-(1,3-thiazol-2-yl)benzamide
CID 27257413
N-(5-methyl-1,2-oxazol-3-yl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 1087733
N-(3-cyanophenyl)-3-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]benzamide
CID 109065841
N-cyclopropyl-3-(2-methylpyrrolidine-1-carbonyl)benzenesulfonamide
CID 154839161
N-(5-methyl-1,2-oxazol-3-yl)-3-(trifluoromethyl)benzenesulfonamide
CID 8519021

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxy-1-azaspiro[4.4]nonane-1-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide?
The IUPAC name of 3-(4-hydroxy-1-azaspiro[4.4]nonane-1-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide (CID 166402507) is 3-(4-hydroxy-1-azaspiro[4.4]nonane-1-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 3-(4-hydroxy-1-azaspiro[4.4]nonane-1-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide?
The canonical SMILES for 3-(4-hydroxy-1-azaspiro[4.4]nonane-1-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide is Cc1cc(NS(=O)(=O)c2cccc(C(=O)N3CCC(O)C34CCCC4)c2)no1.
What is the InChIKey of 3-(4-hydroxy-1-azaspiro[4.4]nonane-1-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide?
The InChIKey is XVNDFSZSDYBLLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O5S/c1-13-11-17(20-27-13)21-28(25,26)15-6-4-5-14(12-15)18(24)22-10-7-16(23)19(22)8-2-3-9-19/h4-6,11-12,16,23H,2-3,7-10H2,1H3,(H,20,21).
What are the key properties of 3-(4-hydroxy-1-azaspiro[4.4]nonane-1-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide?
3-(4-hydroxy-1-azaspiro[4.4]nonane-1-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide has a molecular weight of 405.48 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxy-1-azaspiro[4.4]nonane-1-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 166402507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).