N-[(4S)-8-oxaspiro[4.5]decan-4-yl]-1-benzofuran-7-sulfonamide

C17H21NO4S — CID 164635694

IUPACN-[(4S)-8-oxaspiro[4.5]decan-4-yl]-1-benzofuran-7-sulfonamide
SMILESO=S(=O)(N[C@H]1CCCC12CCOCC2)c1cccc2ccoc12
InChIInChI=1S/C17H21NO4S/c19-23(20,14-4-1-3-13-6-10-22-16(13)14)18-15-5-2-7-17(15)8-11-21-12-9-17/h1,3-4,6,10,15,18H,2,5,7-9,11-12H2/t15-/m0/s1
InChIKeyUPTHSBSITPFDLH-HNNXBMFYSA-N
MW335.42 g/mol
LogP3.06
Rot. Bonds3

About N-[(4S)-8-oxaspiro[4.5]decan-4-yl]-1-benzofuran-7-sulfonamide

N-[(4S)-8-oxaspiro[4.5]decan-4-yl]-1-benzofuran-7-sulfonamide (PubChem CID 164635694) has the molecular formula C17H21NO4S and a molecular weight of 335.42 g/mol. Its IUPAC name is N-[(4S)-8-oxaspiro[4.5]decan-4-yl]-1-benzofuran-7-sulfonamide.

Molecular Properties

Compound NameN-[(4S)-8-oxaspiro[4.5]decan-4-yl]-1-benzofuran-7-sulfonamide
PubChem CID164635694
Molecular FormulaC17H21NO4S
Molecular Weight335.42 g/mol
Exact Mass335.12
IUPAC NameN-[(4S)-8-oxaspiro[4.5]decan-4-yl]-1-benzofuran-7-sulfonamide
SMILESO=S(=O)(N[C@H]1CCCC12CCOCC2)c1cccc2ccoc12
InChIInChI=1S/C17H21NO4S/c19-23(20,14-4-1-3-13-6-10-22-16(13)14)18-15-5-2-7-17(15)8-11-21-12-9-17/h1,3-4,6,10,15,18H,2,5,7-9,11-12H2/t15-/m0/s1
InChIKeyUPTHSBSITPFDLH-HNNXBMFYSA-N
XLogP3.06
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.42
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1-benzofuran-3-yl)ethyl]-4-methylbenzenesulfonamide
CID 90143349
5-(1-Benzofuran-7-ylsulfonyl)-8-oxa-5-azaspiro[3.5]nonane
CID 128574553
N-[(3S)-1-methylpyrrolidin-3-yl]-1-benzofuran-7-sulfonamide
CID 164641167
N-(3-(benzofuran-2-yl)propyl)-4-ethoxy-3-fluorobenzenesulfonamide
CID 119103405
N-[3-(1-benzofuran-2-yl)propyl]-2-(trifluoromethoxy)benzene-1-sulfonamide
CID 126851041
CID 128574628
CID 128574628
1-(1-Benzofuran-7-ylsulfonyl)-3-fluoro-3-methylpiperidine
CID 128580754
5-fluoro-N-[(1R,3R)-3-hydroxy-7-oxaspiro[3.5]nonan-1-yl]-1-benzofuran-2-sulfonamide
CID 132316696
6-fluoro-N-(propan-2-yl)-1-benzofuran-7-sulfonamide
CID 165476264
6-fluoro-N-methyl-1-benzofuran-7-sulfonamide
CID 165487462
N-ethyl-6-fluoro-1-benzofuran-7-sulfonamide
CID 165487463
N-(1,1,1-trifluoro-3-methoxy-2-methylpropan-2-yl)-1-benzofuran-7-sulfonamide
CID 166235594

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-8-oxaspiro[4.5]decan-4-yl]-1-benzofuran-7-sulfonamide?
The IUPAC name of N-[(4S)-8-oxaspiro[4.5]decan-4-yl]-1-benzofuran-7-sulfonamide (CID 164635694) is N-[(4S)-8-oxaspiro[4.5]decan-4-yl]-1-benzofuran-7-sulfonamide.
What is the SMILES notation for N-[(4S)-8-oxaspiro[4.5]decan-4-yl]-1-benzofuran-7-sulfonamide?
The canonical SMILES for N-[(4S)-8-oxaspiro[4.5]decan-4-yl]-1-benzofuran-7-sulfonamide is O=S(=O)(N[C@H]1CCCC12CCOCC2)c1cccc2ccoc12.
What is the InChIKey of N-[(4S)-8-oxaspiro[4.5]decan-4-yl]-1-benzofuran-7-sulfonamide?
The InChIKey is UPTHSBSITPFDLH-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H21NO4S/c19-23(20,14-4-1-3-13-6-10-22-16(13)14)18-15-5-2-7-17(15)8-11-21-12-9-17/h1,3-4,6,10,15,18H,2,5,7-9,11-12H2/t15-/m0/s1.
What are the key properties of N-[(4S)-8-oxaspiro[4.5]decan-4-yl]-1-benzofuran-7-sulfonamide?
N-[(4S)-8-oxaspiro[4.5]decan-4-yl]-1-benzofuran-7-sulfonamide has a molecular weight of 335.42 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-8-oxaspiro[4.5]decan-4-yl]-1-benzofuran-7-sulfonamide is sourced from PubChem (CID 164635694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).