N-(5-azaspiro[3.5]nonan-8-yl)-5-chloro-2-methylbenzenesulfonamide

C15H21ClN2O2S — CID 43597921

IUPACN-(5-azaspiro[3.5]nonan-8-yl)-5-chloro-2-methylbenzenesulfonamide
SMILESCc1ccc(Cl)cc1S(=O)(=O)NC1CCNC2(CCC2)C1
InChIInChI=1S/C15H21ClN2O2S/c1-11-3-4-12(16)9-14(11)21(19,20)18-13-5-8-17-15(10-13)6-2-7-15/h3-4,9,13,17-18H,2,5-8,10H2,1H3
InChIKeyZYSNJKCHWUEDHG-UHFFFAOYSA-N
MW328.87 g/mol
LogP2.60
Rot. Bonds3

About N-(5-azaspiro[3.5]nonan-8-yl)-5-chloro-2-methylbenzenesulfonamide

N-(5-azaspiro[3.5]nonan-8-yl)-5-chloro-2-methylbenzenesulfonamide (PubChem CID 43597921) has the molecular formula C15H21ClN2O2S and a molecular weight of 328.87 g/mol. Its IUPAC name is N-(5-azaspiro[3.5]nonan-8-yl)-5-chloro-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(5-azaspiro[3.5]nonan-8-yl)-5-chloro-2-methylbenzenesulfonamide
PubChem CID43597921
Molecular FormulaC15H21ClN2O2S
Molecular Weight328.87 g/mol
Exact Mass328.10
IUPAC NameN-(5-azaspiro[3.5]nonan-8-yl)-5-chloro-2-methylbenzenesulfonamide
SMILESCc1ccc(Cl)cc1S(=O)(=O)NC1CCNC2(CCC2)C1
InChIInChI=1S/C15H21ClN2O2S/c1-11-3-4-12(16)9-14(11)21(19,20)18-13-5-8-17-15(10-13)6-2-7-15/h3-4,9,13,17-18H,2,5-8,10H2,1H3
InChIKeyZYSNJKCHWUEDHG-UHFFFAOYSA-N
XLogP2.60
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.87
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-azaspiro[3.5]nonan-8-yl)-2-bromo-4-methylbenzenesulfonamide
CID 43597913
N-(5-azaspiro[3.5]nonan-8-yl)-2-methoxybenzenesulfonamide
CID 43597956
N-(5-azaspiro[3.5]nonan-8-yl)-2-fluorobenzenesulfonamide
CID 43597983
5-chloro-2-methyl-N-[(3S)-piperidin-3-yl]benzenesulfonamide;hydrochloride
CID 120716768
N-(5-azaspiro[3.5]nonan-8-yl)-3-bromo-4-chlorobenzenesulfonamide
CID 106606485
5-chloro-N-[(1S,3S)-3-hydroxycyclohexyl]-2-methylbenzenesulfonamide
CID 95984034
N-(5-azaspiro[3.5]nonan-8-yl)-5-ethylthiophene-2-sulfonamide
CID 61454324
N-(5-azaspiro[3.5]nonan-8-yl)-2-cyanopyridine-3-sulfonamide
CID 106598352
cis-(1R,3S)-3-[(5-chloro-2-methylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 106321490
N-(5-azaspiro[3.5]nonan-8-yl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 43597909
5-chloro-2-methyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide
CID 120725193
N-(1-azaspiro[5.5]undecan-4-yl)-2-methylpropane-2-sulfonamide
CID 63688997

Frequently Asked Questions

What is the IUPAC name of N-(5-azaspiro[3.5]nonan-8-yl)-5-chloro-2-methylbenzenesulfonamide?
The IUPAC name of N-(5-azaspiro[3.5]nonan-8-yl)-5-chloro-2-methylbenzenesulfonamide (CID 43597921) is N-(5-azaspiro[3.5]nonan-8-yl)-5-chloro-2-methylbenzenesulfonamide.
What is the SMILES notation for N-(5-azaspiro[3.5]nonan-8-yl)-5-chloro-2-methylbenzenesulfonamide?
The canonical SMILES for N-(5-azaspiro[3.5]nonan-8-yl)-5-chloro-2-methylbenzenesulfonamide is Cc1ccc(Cl)cc1S(=O)(=O)NC1CCNC2(CCC2)C1.
What is the InChIKey of N-(5-azaspiro[3.5]nonan-8-yl)-5-chloro-2-methylbenzenesulfonamide?
The InChIKey is ZYSNJKCHWUEDHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2S/c1-11-3-4-12(16)9-14(11)21(19,20)18-13-5-8-17-15(10-13)6-2-7-15/h3-4,9,13,17-18H,2,5-8,10H2,1H3.
What are the key properties of N-(5-azaspiro[3.5]nonan-8-yl)-5-chloro-2-methylbenzenesulfonamide?
N-(5-azaspiro[3.5]nonan-8-yl)-5-chloro-2-methylbenzenesulfonamide has a molecular weight of 328.87 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-azaspiro[3.5]nonan-8-yl)-5-chloro-2-methylbenzenesulfonamide is sourced from PubChem (CID 43597921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).