N-(4-azaspiro[2.5]octan-7-yl)-4-phenoxybenzenesulfonamide

C19H22N2O3S — CID 166269430

IUPACN-(4-azaspiro[2.5]octan-7-yl)-4-phenoxybenzenesulfonamide
SMILESO=S(=O)(NC1CCNC2(CC2)C1)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C19H22N2O3S/c22-25(23,21-15-10-13-20-19(14-15)11-12-19)18-8-6-17(7-9-18)24-16-4-2-1-3-5-16/h1-9,15,20-21H,10-14H2
InChIKeyFCQGPRQFLVEIEK-UHFFFAOYSA-N
MW358.46 g/mol
LogP3.04
Rot. Bonds5

About N-(4-azaspiro[2.5]octan-7-yl)-4-phenoxybenzenesulfonamide

N-(4-azaspiro[2.5]octan-7-yl)-4-phenoxybenzenesulfonamide (PubChem CID 166269430) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is N-(4-azaspiro[2.5]octan-7-yl)-4-phenoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(4-azaspiro[2.5]octan-7-yl)-4-phenoxybenzenesulfonamide
PubChem CID166269430
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC NameN-(4-azaspiro[2.5]octan-7-yl)-4-phenoxybenzenesulfonamide
SMILESO=S(=O)(NC1CCNC2(CC2)C1)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C19H22N2O3S/c22-25(23,21-15-10-13-20-19(14-15)11-12-19)18-8-6-17(7-9-18)24-16-4-2-1-3-5-16/h1-9,15,20-21H,10-14H2
InChIKeyFCQGPRQFLVEIEK-UHFFFAOYSA-N
XLogP3.04
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-azaspiro[2.5]octan-7-yl)-4-phenoxybenzenesulfonamide?
The IUPAC name of N-(4-azaspiro[2.5]octan-7-yl)-4-phenoxybenzenesulfonamide (CID 166269430) is N-(4-azaspiro[2.5]octan-7-yl)-4-phenoxybenzenesulfonamide.
What is the SMILES notation for N-(4-azaspiro[2.5]octan-7-yl)-4-phenoxybenzenesulfonamide?
The canonical SMILES for N-(4-azaspiro[2.5]octan-7-yl)-4-phenoxybenzenesulfonamide is O=S(=O)(NC1CCNC2(CC2)C1)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of N-(4-azaspiro[2.5]octan-7-yl)-4-phenoxybenzenesulfonamide?
The InChIKey is FCQGPRQFLVEIEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c22-25(23,21-15-10-13-20-19(14-15)11-12-19)18-8-6-17(7-9-18)24-16-4-2-1-3-5-16/h1-9,15,20-21H,10-14H2.
What are the key properties of N-(4-azaspiro[2.5]octan-7-yl)-4-phenoxybenzenesulfonamide?
N-(4-azaspiro[2.5]octan-7-yl)-4-phenoxybenzenesulfonamide has a molecular weight of 358.46 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-azaspiro[2.5]octan-7-yl)-4-phenoxybenzenesulfonamide is sourced from PubChem (CID 166269430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).