2-bromo-N-(7-oxaspiro[3.5]nonan-3-yl)benzenesulfonamide

C14H18BrNO3S — CID 122276603

IUPAC2-bromo-N-(7-oxaspiro[3.5]nonan-3-yl)benzenesulfonamide
SMILESO=S(=O)(NC1CCC12CCOCC2)c1ccccc1Br
InChIInChI=1S/C14H18BrNO3S/c15-11-3-1-2-4-12(11)20(17,18)16-13-5-6-14(13)7-9-19-10-8-14/h1-4,13,16H,5-10H2
InChIKeyBEVNJELHUAUOBG-UHFFFAOYSA-N
MW360.27 g/mol
LogP2.69
Rot. Bonds3

About 2-bromo-N-(7-oxaspiro[3.5]nonan-3-yl)benzenesulfonamide

2-bromo-N-(7-oxaspiro[3.5]nonan-3-yl)benzenesulfonamide (PubChem CID 122276603) has the molecular formula C14H18BrNO3S and a molecular weight of 360.27 g/mol. Its IUPAC name is 2-bromo-N-(7-oxaspiro[3.5]nonan-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-(7-oxaspiro[3.5]nonan-3-yl)benzenesulfonamide
PubChem CID122276603
Molecular FormulaC14H18BrNO3S
Molecular Weight360.27 g/mol
Exact Mass359.02
IUPAC Name2-bromo-N-(7-oxaspiro[3.5]nonan-3-yl)benzenesulfonamide
SMILESO=S(=O)(NC1CCC12CCOCC2)c1ccccc1Br
InChIInChI=1S/C14H18BrNO3S/c15-11-3-1-2-4-12(11)20(17,18)16-13-5-6-14(13)7-9-19-10-8-14/h1-4,13,16H,5-10H2
InChIKeyBEVNJELHUAUOBG-UHFFFAOYSA-N
XLogP2.69
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.27
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(7-oxaspiro[3.5]nonan-3-yl)-3-phenylbenzenesulfonamide
CID 122276632
N-(7-oxaspiro[3.5]nonan-3-yl)-2-phenylethanesulfonamide
CID 122276557
N-(7-oxaspiro[3.5]nonan-3-yl)cyclopropanesulfonamide
CID 122276541
2-bromo-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzenesulfonamide
CID 114631512
methyl 4-(7-oxaspiro[3.5]nonan-3-ylsulfamoyl)benzoate
CID 122276607
N-(7-oxaspiro[3.5]nonan-3-yl)ethenesulfonamide
CID 167896851
3-fluoro-4-methoxy-N-(7-oxaspiro[3.5]nonan-3-yl)benzenesulfonamide
CID 122276580
2-bromo-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzenesulfonamide
CID 80602182
2-bromo-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]benzenesulfonamide
CID 11928444
2-bromo-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide
CID 104696900
bis[2-[(2-bromophenyl)sulfonylamino]oxan-4-yl] carbonate
CID 67214142
2-bromo-N-[(3S)-3-hydroxy-3-(oxan-4-yl)propyl]benzenesulfonamide
CID 99997005

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(7-oxaspiro[3.5]nonan-3-yl)benzenesulfonamide?
The IUPAC name of 2-bromo-N-(7-oxaspiro[3.5]nonan-3-yl)benzenesulfonamide (CID 122276603) is 2-bromo-N-(7-oxaspiro[3.5]nonan-3-yl)benzenesulfonamide.
What is the SMILES notation for 2-bromo-N-(7-oxaspiro[3.5]nonan-3-yl)benzenesulfonamide?
The canonical SMILES for 2-bromo-N-(7-oxaspiro[3.5]nonan-3-yl)benzenesulfonamide is O=S(=O)(NC1CCC12CCOCC2)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-(7-oxaspiro[3.5]nonan-3-yl)benzenesulfonamide?
The InChIKey is BEVNJELHUAUOBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO3S/c15-11-3-1-2-4-12(11)20(17,18)16-13-5-6-14(13)7-9-19-10-8-14/h1-4,13,16H,5-10H2.
What are the key properties of 2-bromo-N-(7-oxaspiro[3.5]nonan-3-yl)benzenesulfonamide?
2-bromo-N-(7-oxaspiro[3.5]nonan-3-yl)benzenesulfonamide has a molecular weight of 360.27 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(7-oxaspiro[3.5]nonan-3-yl)benzenesulfonamide is sourced from PubChem (CID 122276603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).