4-(6-oxa-2-thiaspiro[4.5]decan-9-yloxy)benzenesulfonamide

C14H19NO4S2 — CID 79900572

IUPAC4-(6-oxa-2-thiaspiro[4.5]decan-9-yloxy)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(OC2CCOC3(CCSC3)C2)cc1
InChIInChI=1S/C14H19NO4S2/c15-21(16,17)13-3-1-11(2-4-13)19-12-5-7-18-14(9-12)6-8-20-10-14/h1-4,12H,5-10H2,(H2,15,16,17)
InChIKeyZDMFDDHETFLLRX-UHFFFAOYSA-N
MW329.44 g/mol
LogP1.77
Rot. Bonds3

About 4-(6-oxa-2-thiaspiro[4.5]decan-9-yloxy)benzenesulfonamide

4-(6-oxa-2-thiaspiro[4.5]decan-9-yloxy)benzenesulfonamide (PubChem CID 79900572) has the molecular formula C14H19NO4S2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 4-(6-oxa-2-thiaspiro[4.5]decan-9-yloxy)benzenesulfonamide.

Molecular Properties

Compound Name4-(6-oxa-2-thiaspiro[4.5]decan-9-yloxy)benzenesulfonamide
PubChem CID79900572
Molecular FormulaC14H19NO4S2
Molecular Weight329.44 g/mol
Exact Mass329.08
IUPAC Name4-(6-oxa-2-thiaspiro[4.5]decan-9-yloxy)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(OC2CCOC3(CCSC3)C2)cc1
InChIInChI=1S/C14H19NO4S2/c15-21(16,17)13-3-1-11(2-4-13)19-12-5-7-18-14(9-12)6-8-20-10-14/h1-4,12H,5-10H2,(H2,15,16,17)
InChIKeyZDMFDDHETFLLRX-UHFFFAOYSA-N
XLogP1.77
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

9-(4-methylphenoxy)-6-oxa-2-thiaspiro[4.5]decane
CID 79923057
9-(4-tert-butylphenoxy)-6-oxa-2-thiaspiro[4.5]decane
CID 79907628
1-[4-(6-oxa-2-thiaspiro[4.5]decan-9-yloxy)phenyl]propan-2-one
CID 115495256
9-[4-(3-chloroprop-1-ynyl)phenoxy]-6-oxa-2-thiaspiro[4.5]decane
CID 79907895
9-(2-bromo-4-methoxyphenoxy)-6-oxa-2-thiaspiro[4.5]decane
CID 104707464
9-[3-(chloromethyl)phenoxy]-6-oxa-2-thiaspiro[4.5]decane
CID 79894617
3-fluoro-2-(6-oxa-2-thiaspiro[4.5]decan-9-yloxy)aniline
CID 104831308
9-(2,4-dimethylphenoxy)-6-oxa-2-thiaspiro[4.5]decane
CID 79924175
4-cyclopentyloxybenzenesulfonamide
CID 43164525
5-bromo-4-fluoro-2-(6-oxa-2-thiaspiro[4.5]decan-9-yloxy)aniline
CID 103482994
2-(6-oxa-2-thiaspiro[4.5]decan-9-yloxy)benzoic acid
CID 79904501
4-(1-oxaspiro[5.5]undecan-4-yloxy)aniline
CID 79904831

Frequently Asked Questions

What is the IUPAC name of 4-(6-oxa-2-thiaspiro[4.5]decan-9-yloxy)benzenesulfonamide?
The IUPAC name of 4-(6-oxa-2-thiaspiro[4.5]decan-9-yloxy)benzenesulfonamide (CID 79900572) is 4-(6-oxa-2-thiaspiro[4.5]decan-9-yloxy)benzenesulfonamide.
What is the SMILES notation for 4-(6-oxa-2-thiaspiro[4.5]decan-9-yloxy)benzenesulfonamide?
The canonical SMILES for 4-(6-oxa-2-thiaspiro[4.5]decan-9-yloxy)benzenesulfonamide is NS(=O)(=O)c1ccc(OC2CCOC3(CCSC3)C2)cc1.
What is the InChIKey of 4-(6-oxa-2-thiaspiro[4.5]decan-9-yloxy)benzenesulfonamide?
The InChIKey is ZDMFDDHETFLLRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4S2/c15-21(16,17)13-3-1-11(2-4-13)19-12-5-7-18-14(9-12)6-8-20-10-14/h1-4,12H,5-10H2,(H2,15,16,17).
What are the key properties of 4-(6-oxa-2-thiaspiro[4.5]decan-9-yloxy)benzenesulfonamide?
4-(6-oxa-2-thiaspiro[4.5]decan-9-yloxy)benzenesulfonamide has a molecular weight of 329.44 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-oxa-2-thiaspiro[4.5]decan-9-yloxy)benzenesulfonamide is sourced from PubChem (CID 79900572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).