N-(5-azaspiro[3.5]nonan-8-yl)-3-bromo-4-chlorobenzenesulfonamide

C14H18BrClN2O2S — CID 106606485

IUPACN-(5-azaspiro[3.5]nonan-8-yl)-3-bromo-4-chlorobenzenesulfonamide
SMILESO=S(=O)(NC1CCNC2(CCC2)C1)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C14H18BrClN2O2S/c15-12-8-11(2-3-13(12)16)21(19,20)18-10-4-7-17-14(9-10)5-1-6-14/h2-3,8,10,17-18H,1,4-7,9H2
InChIKeyAEHNZRQKWDAHPL-UHFFFAOYSA-N
MW393.73 g/mol
LogP3.06
Rot. Bonds3

About N-(5-azaspiro[3.5]nonan-8-yl)-3-bromo-4-chlorobenzenesulfonamide

N-(5-azaspiro[3.5]nonan-8-yl)-3-bromo-4-chlorobenzenesulfonamide (PubChem CID 106606485) has the molecular formula C14H18BrClN2O2S and a molecular weight of 393.73 g/mol. Its IUPAC name is N-(5-azaspiro[3.5]nonan-8-yl)-3-bromo-4-chlorobenzenesulfonamide.

Molecular Properties

Compound NameN-(5-azaspiro[3.5]nonan-8-yl)-3-bromo-4-chlorobenzenesulfonamide
PubChem CID106606485
Molecular FormulaC14H18BrClN2O2S
Molecular Weight393.73 g/mol
Exact Mass392.00
IUPAC NameN-(5-azaspiro[3.5]nonan-8-yl)-3-bromo-4-chlorobenzenesulfonamide
SMILESO=S(=O)(NC1CCNC2(CCC2)C1)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C14H18BrClN2O2S/c15-12-8-11(2-3-13(12)16)21(19,20)18-10-4-7-17-14(9-10)5-1-6-14/h2-3,8,10,17-18H,1,4-7,9H2
InChIKeyAEHNZRQKWDAHPL-UHFFFAOYSA-N
XLogP3.06
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.73
LogP ≤ 53.06
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
3-bromo-4-chloro-N-[(3R)-piperidin-3-yl]benzenesulfonamide
CID 106606906
N-(5-azaspiro[3.5]nonan-8-yl)-5-chloro-2-methylbenzenesulfonamide
CID 43597921
N-(5-azaspiro[3.5]nonan-8-yl)-2-fluorobenzenesulfonamide
CID 43597983
3-bromo-4-chloro-N-(3-methylcyclohexyl)benzenesulfonamide
CID 106610863
N-(4-azaspiro[2.5]octan-7-yl)-4-phenoxybenzenesulfonamide
CID 166269430
N-(5-azaspiro[3.5]nonan-8-yl)-2-methoxybenzenesulfonamide
CID 43597956
3-bromo-4-chloro-N-(2,3-dihydro-1H-inden-2-yl)benzenesulfonamide
CID 107854598
3-bromo-4-chloro-N-(2-hydroxycyclohexyl)benzenesulfonamide
CID 106546192
3-bromo-N-(2-bromocyclopentyl)-4-chlorobenzenesulfonamide
CID 106606229
3,4-dichloro-N-piperidin-4-ylbenzenesulfonamide
CID 28810999
3-bromo-4-chloro-N-(2-methylcyclopentyl)benzenesulfonamide
CID 106612264

Frequently Asked Questions

What is the IUPAC name of N-(5-azaspiro[3.5]nonan-8-yl)-3-bromo-4-chlorobenzenesulfonamide?
The IUPAC name of N-(5-azaspiro[3.5]nonan-8-yl)-3-bromo-4-chlorobenzenesulfonamide (CID 106606485) is N-(5-azaspiro[3.5]nonan-8-yl)-3-bromo-4-chlorobenzenesulfonamide.
What is the SMILES notation for N-(5-azaspiro[3.5]nonan-8-yl)-3-bromo-4-chlorobenzenesulfonamide?
The canonical SMILES for N-(5-azaspiro[3.5]nonan-8-yl)-3-bromo-4-chlorobenzenesulfonamide is O=S(=O)(NC1CCNC2(CCC2)C1)c1ccc(Cl)c(Br)c1.
What is the InChIKey of N-(5-azaspiro[3.5]nonan-8-yl)-3-bromo-4-chlorobenzenesulfonamide?
The InChIKey is AEHNZRQKWDAHPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrClN2O2S/c15-12-8-11(2-3-13(12)16)21(19,20)18-10-4-7-17-14(9-10)5-1-6-14/h2-3,8,10,17-18H,1,4-7,9H2.
What are the key properties of N-(5-azaspiro[3.5]nonan-8-yl)-3-bromo-4-chlorobenzenesulfonamide?
N-(5-azaspiro[3.5]nonan-8-yl)-3-bromo-4-chlorobenzenesulfonamide has a molecular weight of 393.73 g/mol, XLogP of 3.06, 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)-3-bromo-4-chlorobenzenesulfonamide is sourced from PubChem (CID 106606485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).