4-ethyl-N-[1-(oxolane-2-carbonyl)piperidin-4-yl]benzenesulfonamide

C18H26N2O4S — CID 108566010

IUPAC4-ethyl-N-[1-(oxolane-2-carbonyl)piperidin-4-yl]benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NC2CCN(C(=O)C3CCCO3)CC2)cc1
InChIInChI=1S/C18H26N2O4S/c1-2-14-5-7-16(8-6-14)25(22,23)19-15-9-11-20(12-10-15)18(21)17-4-3-13-24-17/h5-8,15,17,19H,2-4,9-13H2,1H3
InChIKeyFDWMEYIJVVQWFC-UHFFFAOYSA-N
MW366.48 g/mol
LogP1.70
Rot. Bonds5

About 4-ethyl-N-[1-(oxolane-2-carbonyl)piperidin-4-yl]benzenesulfonamide

4-ethyl-N-[1-(oxolane-2-carbonyl)piperidin-4-yl]benzenesulfonamide (PubChem CID 108566010) has the molecular formula C18H26N2O4S and a molecular weight of 366.48 g/mol. Its IUPAC name is 4-ethyl-N-[1-(oxolane-2-carbonyl)piperidin-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-ethyl-N-[1-(oxolane-2-carbonyl)piperidin-4-yl]benzenesulfonamide
PubChem CID108566010
Molecular FormulaC18H26N2O4S
Molecular Weight366.48 g/mol
Exact Mass366.16
IUPAC Name4-ethyl-N-[1-(oxolane-2-carbonyl)piperidin-4-yl]benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NC2CCN(C(=O)C3CCCO3)CC2)cc1
InChIInChI=1S/C18H26N2O4S/c1-2-14-5-7-16(8-6-14)25(22,23)19-15-9-11-20(12-10-15)18(21)17-4-3-13-24-17/h5-8,15,17,19H,2-4,9-13H2,1H3
InChIKeyFDWMEYIJVVQWFC-UHFFFAOYSA-N
XLogP1.70
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.48
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-[1-[(2R)-oxolane-2-carbonyl]piperidin-4-yl]benzenesulfonamide
CID 94091179
N-[1-(4-tert-butylbenzoyl)piperidin-4-yl]-4-ethylbenzenesulfonamide
CID 108565613
N-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]-4-ethylbenzenesulfonamide
CID 108567057
3-(4-ethylphenyl)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]propan-1-one
CID 110366006
4-ethyl-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]benzenesulfonamide
CID 108567273
[(2S)-oxolan-2-yl]-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]methanone
CID 26776175
4-ethyl-N-(1-methylsulfonylpiperidin-4-yl)benzenesulfonamide
CID 110714982
N-[2-[4-[(4-ethylphenyl)sulfonylamino]piperidin-1-yl]-2-oxoethyl]benzamide
CID 108564014
4-ethyl-N-[1-(2-fluorobenzoyl)piperidin-4-yl]benzenesulfonamide
CID 108563623
4-ethyl-N-[1-[2-(2-methoxyethoxy)acetyl]piperidin-4-yl]benzenesulfonamide
CID 108566980
N-cyclobutyl-2-[(2R)-oxolane-2-carbonyl]-3,4-dihydro-1H-isoquinoline-7-sulfonamide
CID 70747596
4-fluoro-N-[1-(morpholine-2-carbonyl)piperidin-4-yl]benzenesulfonamide;hydrochloride
CID 119732712

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[1-(oxolane-2-carbonyl)piperidin-4-yl]benzenesulfonamide?
The IUPAC name of 4-ethyl-N-[1-(oxolane-2-carbonyl)piperidin-4-yl]benzenesulfonamide (CID 108566010) is 4-ethyl-N-[1-(oxolane-2-carbonyl)piperidin-4-yl]benzenesulfonamide.
What is the SMILES notation for 4-ethyl-N-[1-(oxolane-2-carbonyl)piperidin-4-yl]benzenesulfonamide?
The canonical SMILES for 4-ethyl-N-[1-(oxolane-2-carbonyl)piperidin-4-yl]benzenesulfonamide is CCc1ccc(S(=O)(=O)NC2CCN(C(=O)C3CCCO3)CC2)cc1.
What is the InChIKey of 4-ethyl-N-[1-(oxolane-2-carbonyl)piperidin-4-yl]benzenesulfonamide?
The InChIKey is FDWMEYIJVVQWFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4S/c1-2-14-5-7-16(8-6-14)25(22,23)19-15-9-11-20(12-10-15)18(21)17-4-3-13-24-17/h5-8,15,17,19H,2-4,9-13H2,1H3.
What are the key properties of 4-ethyl-N-[1-(oxolane-2-carbonyl)piperidin-4-yl]benzenesulfonamide?
4-ethyl-N-[1-(oxolane-2-carbonyl)piperidin-4-yl]benzenesulfonamide has a molecular weight of 366.48 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[1-(oxolane-2-carbonyl)piperidin-4-yl]benzenesulfonamide is sourced from PubChem (CID 108566010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).