N-(5-azaspiro[3.5]nonan-8-yl)-2-bromo-4-methylbenzenesulfonamide

C15H21BrN2O2S — CID 43597913

IUPACN-(5-azaspiro[3.5]nonan-8-yl)-2-bromo-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2CCNC3(CCC3)C2)c(Br)c1
InChIInChI=1S/C15H21BrN2O2S/c1-11-3-4-14(13(16)9-11)21(19,20)18-12-5-8-17-15(10-12)6-2-7-15/h3-4,9,12,17-18H,2,5-8,10H2,1H3
InChIKeyWQSMQSNOZQPWRU-UHFFFAOYSA-N
MW373.32 g/mol
LogP2.71
Rot. Bonds3

About N-(5-azaspiro[3.5]nonan-8-yl)-2-bromo-4-methylbenzenesulfonamide

N-(5-azaspiro[3.5]nonan-8-yl)-2-bromo-4-methylbenzenesulfonamide (PubChem CID 43597913) has the molecular formula C15H21BrN2O2S and a molecular weight of 373.32 g/mol. Its IUPAC name is N-(5-azaspiro[3.5]nonan-8-yl)-2-bromo-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(5-azaspiro[3.5]nonan-8-yl)-2-bromo-4-methylbenzenesulfonamide
PubChem CID43597913
Molecular FormulaC15H21BrN2O2S
Molecular Weight373.32 g/mol
Exact Mass372.05
IUPAC NameN-(5-azaspiro[3.5]nonan-8-yl)-2-bromo-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2CCNC3(CCC3)C2)c(Br)c1
InChIInChI=1S/C15H21BrN2O2S/c1-11-3-4-14(13(16)9-11)21(19,20)18-12-5-8-17-15(10-12)6-2-7-15/h3-4,9,12,17-18H,2,5-8,10H2,1H3
InChIKeyWQSMQSNOZQPWRU-UHFFFAOYSA-N
XLogP2.71
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.32
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(5-azaspiro[3.5]nonan-8-yl)-2-bromo-4-methylbenzenesulfonamide 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

N-(5-azaspiro[3.5]nonan-8-yl)-5-chloro-2-methylbenzenesulfonamide
CID 43597921
N-(5-azaspiro[3.5]nonan-8-yl)-3-bromo-4-chlorobenzenesulfonamide
CID 106606485
2-bromo-4-methyl-N-piperidin-3-ylbenzenesulfonamide
CID 55204708
N-(5-azaspiro[3.5]nonan-8-yl)-2-methoxybenzenesulfonamide
CID 43597956
2-bromo-4-methyl-N-[(3S)-piperidin-3-yl]benzenesulfonamide;hydrochloride
CID 120716767
N-(5-azaspiro[3.5]nonan-8-yl)-2-fluorobenzenesulfonamide
CID 43597983
2-bromo-N-(4-hydroxycyclohexyl)-4-methylbenzenesulfonamide
CID 43417293
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
N-(5-azaspiro[3.5]nonan-8-yl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 43597909
1-[(2-bromo-4-methylphenyl)sulfonylamino]cyclobutane-1-carboxylic acid
CID 81164226
N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-bromo-4-methylbenzenesulfonamide
CID 43597330

Frequently Asked Questions

What is the IUPAC name of N-(5-azaspiro[3.5]nonan-8-yl)-2-bromo-4-methylbenzenesulfonamide?
The IUPAC name of N-(5-azaspiro[3.5]nonan-8-yl)-2-bromo-4-methylbenzenesulfonamide (CID 43597913) is N-(5-azaspiro[3.5]nonan-8-yl)-2-bromo-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(5-azaspiro[3.5]nonan-8-yl)-2-bromo-4-methylbenzenesulfonamide?
The canonical SMILES for N-(5-azaspiro[3.5]nonan-8-yl)-2-bromo-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NC2CCNC3(CCC3)C2)c(Br)c1.
What is the InChIKey of N-(5-azaspiro[3.5]nonan-8-yl)-2-bromo-4-methylbenzenesulfonamide?
The InChIKey is WQSMQSNOZQPWRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O2S/c1-11-3-4-14(13(16)9-11)21(19,20)18-12-5-8-17-15(10-12)6-2-7-15/h3-4,9,12,17-18H,2,5-8,10H2,1H3.
What are the key properties of N-(5-azaspiro[3.5]nonan-8-yl)-2-bromo-4-methylbenzenesulfonamide?
N-(5-azaspiro[3.5]nonan-8-yl)-2-bromo-4-methylbenzenesulfonamide has a molecular weight of 373.32 g/mol, XLogP of 2.71, 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)-2-bromo-4-methylbenzenesulfonamide is sourced from PubChem (CID 43597913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).