N-(7-benzyl-7-azaspiro[3.5]nonan-2-yl)benzenesulfonamide

C21H26N2O2S — CID 155880238

IUPACN-(7-benzyl-7-azaspiro[3.5]nonan-2-yl)benzenesulfonamide
SMILESO=S(=O)(NC1CC2(CCN(Cc3ccccc3)CC2)C1)c1ccccc1
InChIInChI=1S/C21H26N2O2S/c24-26(25,20-9-5-2-6-10-20)22-19-15-21(16-19)11-13-23(14-12-21)17-18-7-3-1-4-8-18/h1-10,19,22H,11-17H2
InChIKeyBGXHWEHYCUXNPU-UHFFFAOYSA-N
MW370.52 g/mol
LogP3.41
Rot. Bonds5

About N-(7-benzyl-7-azaspiro[3.5]nonan-2-yl)benzenesulfonamide

N-(7-benzyl-7-azaspiro[3.5]nonan-2-yl)benzenesulfonamide (PubChem CID 155880238) has the molecular formula C21H26N2O2S and a molecular weight of 370.52 g/mol. Its IUPAC name is N-(7-benzyl-7-azaspiro[3.5]nonan-2-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(7-benzyl-7-azaspiro[3.5]nonan-2-yl)benzenesulfonamide
PubChem CID155880238
Molecular FormulaC21H26N2O2S
Molecular Weight370.52 g/mol
Exact Mass370.17
IUPAC NameN-(7-benzyl-7-azaspiro[3.5]nonan-2-yl)benzenesulfonamide
SMILESO=S(=O)(NC1CC2(CCN(Cc3ccccc3)CC2)C1)c1ccccc1
InChIInChI=1S/C21H26N2O2S/c24-26(25,20-9-5-2-6-10-20)22-19-15-21(16-19)11-13-23(14-12-21)17-18-7-3-1-4-8-18/h1-10,19,22H,11-17H2
InChIKeyBGXHWEHYCUXNPU-UHFFFAOYSA-N
XLogP3.41
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-benzylpyrrolidin-3-yl)benzenesulfonamide
CID 51169833
N-[(3R)-7-(pyridin-4-ylmethyl)-7-azaspiro[3.5]nonan-3-yl]benzenesulfonamide
CID 97374899
N-(1-benzylpiperidin-4-yl)-3-chlorobenzenesulfonamide;hydrochloride
CID 18197766
N-[7-[(2-chlorophenyl)methyl]-7-azaspiro[3.5]nonan-2-yl]methanesulfonamide
CID 98897416
N-[(3R)-7-[(4-fluorophenyl)methyl]-7-azaspiro[3.5]nonan-3-yl]benzenesulfonamide
CID 97374891
N-(1-benzylazetidin-3-yl)-4-methylbenzenesulfonamide
CID 11324550
N-(1-benzylpiperidin-4-yl)-4-nitrobenzenesulfonamide;hydrochloride
CID 46823353
N-[7-(pyridin-4-ylmethyl)-7-azaspiro[3.5]nonan-3-yl]benzenesulfonamide;bis(2,2,2-trifluoroacetic acid)
CID 155848564
N-[[4-[(1-benzylpiperidin-4-yl)sulfamoyl]phenyl]methyl]acetamide;hydrochloride
CID 42913093
N-[(3S)-1-benzylpyrrolidin-3-yl]-4-bromobenzenesulfonamide
CID 40783049
4-acetyl-N-(1-benzylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 42913092
cyclopentyl N-(7-benzyl-7-azaspiro[3.5]nonan-2-yl)carbamate
CID 155875097

Frequently Asked Questions

What is the IUPAC name of N-(7-benzyl-7-azaspiro[3.5]nonan-2-yl)benzenesulfonamide?
The IUPAC name of N-(7-benzyl-7-azaspiro[3.5]nonan-2-yl)benzenesulfonamide (CID 155880238) is N-(7-benzyl-7-azaspiro[3.5]nonan-2-yl)benzenesulfonamide.
What is the SMILES notation for N-(7-benzyl-7-azaspiro[3.5]nonan-2-yl)benzenesulfonamide?
The canonical SMILES for N-(7-benzyl-7-azaspiro[3.5]nonan-2-yl)benzenesulfonamide is O=S(=O)(NC1CC2(CCN(Cc3ccccc3)CC2)C1)c1ccccc1.
What is the InChIKey of N-(7-benzyl-7-azaspiro[3.5]nonan-2-yl)benzenesulfonamide?
The InChIKey is BGXHWEHYCUXNPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2S/c24-26(25,20-9-5-2-6-10-20)22-19-15-21(16-19)11-13-23(14-12-21)17-18-7-3-1-4-8-18/h1-10,19,22H,11-17H2.
What are the key properties of N-(7-benzyl-7-azaspiro[3.5]nonan-2-yl)benzenesulfonamide?
N-(7-benzyl-7-azaspiro[3.5]nonan-2-yl)benzenesulfonamide has a molecular weight of 370.52 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-benzyl-7-azaspiro[3.5]nonan-2-yl)benzenesulfonamide is sourced from PubChem (CID 155880238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).