5-bromo-2-(5-oxaspiro[3.5]nonan-8-yloxy)benzenesulfonamide

C14H18BrNO4S — CID 79900573

IUPAC5-bromo-2-(5-oxaspiro[3.5]nonan-8-yloxy)benzenesulfonamide
SMILESNS(=O)(=O)c1cc(Br)ccc1OC1CCOC2(CCC2)C1
InChIInChI=1S/C14H18BrNO4S/c15-10-2-3-12(13(8-10)21(16,17)18)20-11-4-7-19-14(9-11)5-1-6-14/h2-3,8,11H,1,4-7,9H2,(H2,16,17,18)
InChIKeyIQTREMCALNFOGX-UHFFFAOYSA-N
MW376.27 g/mol
LogP2.58
Rot. Bonds3

About 5-bromo-2-(5-oxaspiro[3.5]nonan-8-yloxy)benzenesulfonamide

5-bromo-2-(5-oxaspiro[3.5]nonan-8-yloxy)benzenesulfonamide (PubChem CID 79900573) has the molecular formula C14H18BrNO4S and a molecular weight of 376.27 g/mol. Its IUPAC name is 5-bromo-2-(5-oxaspiro[3.5]nonan-8-yloxy)benzenesulfonamide.

Molecular Properties

Compound Name5-bromo-2-(5-oxaspiro[3.5]nonan-8-yloxy)benzenesulfonamide
PubChem CID79900573
Molecular FormulaC14H18BrNO4S
Molecular Weight376.27 g/mol
Exact Mass375.01
IUPAC Name5-bromo-2-(5-oxaspiro[3.5]nonan-8-yloxy)benzenesulfonamide
SMILESNS(=O)(=O)c1cc(Br)ccc1OC1CCOC2(CCC2)C1
InChIInChI=1S/C14H18BrNO4S/c15-10-2-3-12(13(8-10)21(16,17)18)20-11-4-7-19-14(9-11)5-1-6-14/h2-3,8,11H,1,4-7,9H2,(H2,16,17,18)
InChIKeyIQTREMCALNFOGX-UHFFFAOYSA-N
XLogP2.58
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.27
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-(oxolan-3-yloxy)benzenesulfonamide
CID 63559381
5-bromo-2-(5-oxaspiro[3.5]nonan-8-yloxy)benzoic acid
CID 79905392
4-(4-bromo-2-methylphenoxy)-1-oxaspiro[5.5]undecane
CID 79906041
1-[4-bromo-2-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]ethanamine
CID 102946379
9-(5-bromo-2-methylphenoxy)-6-oxaspiro[4.5]decane
CID 107284316
9-[4-bromo-2-(chloromethyl)phenoxy]-6-oxaspiro[4.5]decane
CID 79894152
5-bromo-2-(1,9-dioxaspiro[5.5]undecan-4-yloxy)aniline
CID 79904366
8-(3-bromophenoxy)-5-oxaspiro[3.5]nonane
CID 79906398
9-[2-bromo-4-(bromomethyl)phenoxy]-6-oxaspiro[4.5]decane
CID 79894468
9-(2-bromophenoxy)-6-oxaspiro[4.5]decane
CID 79905452
[5-bromo-2-(1-oxa-9-thiaspiro[5.5]undecan-4-yloxy)phenyl]methanamine
CID 79899567
3-methoxy-4-(5-oxaspiro[3.5]nonan-8-yloxy)aniline
CID 79904771

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(5-oxaspiro[3.5]nonan-8-yloxy)benzenesulfonamide?
The IUPAC name of 5-bromo-2-(5-oxaspiro[3.5]nonan-8-yloxy)benzenesulfonamide (CID 79900573) is 5-bromo-2-(5-oxaspiro[3.5]nonan-8-yloxy)benzenesulfonamide.
What is the SMILES notation for 5-bromo-2-(5-oxaspiro[3.5]nonan-8-yloxy)benzenesulfonamide?
The canonical SMILES for 5-bromo-2-(5-oxaspiro[3.5]nonan-8-yloxy)benzenesulfonamide is NS(=O)(=O)c1cc(Br)ccc1OC1CCOC2(CCC2)C1.
What is the InChIKey of 5-bromo-2-(5-oxaspiro[3.5]nonan-8-yloxy)benzenesulfonamide?
The InChIKey is IQTREMCALNFOGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO4S/c15-10-2-3-12(13(8-10)21(16,17)18)20-11-4-7-19-14(9-11)5-1-6-14/h2-3,8,11H,1,4-7,9H2,(H2,16,17,18).
What are the key properties of 5-bromo-2-(5-oxaspiro[3.5]nonan-8-yloxy)benzenesulfonamide?
5-bromo-2-(5-oxaspiro[3.5]nonan-8-yloxy)benzenesulfonamide has a molecular weight of 376.27 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(5-oxaspiro[3.5]nonan-8-yloxy)benzenesulfonamide is sourced from PubChem (CID 79900573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).