N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]oxolane-3-sulfonamide

C17H25FN2O3S — CID 102557533

IUPACN-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]oxolane-3-sulfonamide
SMILESO=S(=O)(NCC1CCN(Cc2ccccc2F)CC1)C1CCOC1
InChIInChI=1S/C17H25FN2O3S/c18-17-4-2-1-3-15(17)12-20-8-5-14(6-9-20)11-19-24(21,22)16-7-10-23-13-16/h1-4,14,16,19H,5-13H2
InChIKeyAUTXFAVUNKIUBY-UHFFFAOYSA-N
MW356.46 g/mol
LogP1.75
Rot. Bonds6

About N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]oxolane-3-sulfonamide

N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]oxolane-3-sulfonamide (PubChem CID 102557533) has the molecular formula C17H25FN2O3S and a molecular weight of 356.46 g/mol. Its IUPAC name is N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]oxolane-3-sulfonamide.

Molecular Properties

Compound NameN-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]oxolane-3-sulfonamide
PubChem CID102557533
Molecular FormulaC17H25FN2O3S
Molecular Weight356.46 g/mol
Exact Mass356.16
IUPAC NameN-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]oxolane-3-sulfonamide
SMILESO=S(=O)(NCC1CCN(Cc2ccccc2F)CC1)C1CCOC1
InChIInChI=1S/C17H25FN2O3S/c18-17-4-2-1-3-15(17)12-20-8-5-14(6-9-20)11-19-24(21,22)16-7-10-23-13-16/h1-4,14,16,19H,5-13H2
InChIKeyAUTXFAVUNKIUBY-UHFFFAOYSA-N
XLogP1.75
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.46
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;1-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-N-methylmethanamine;hydrate
CID 145081526
N-[[1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methyl]cyclopropanamine
CID 62512068
methane;methyl 2-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]acetate
CID 78582440
N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-methoxyethanamine;hydrochloride
CID 156595577
N-[(4S)-9-[(2-fluorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]cyclopropanesulfonamide
CID 98896126
N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]thiolane-2-carboxamide
CID 71991294
1-[(2-fluorophenyl)methyl]-4-(2-fluorophenyl)sulfonylpiperazine
CID 8749281
1-[(2-fluorophenyl)methyl]piperidin-4-ol
CID 10242192
4-chloro-1-[(2-fluorophenyl)methyl]piperidine
CID 63389364
[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-(oxan-4-yl)methanone
CID 113074079
N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-(1-hydroxycyclopentyl)acetamide
CID 75423564
1-(2,4-difluorophenyl)-3-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]urea
CID 15989563

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]oxolane-3-sulfonamide?
The IUPAC name of N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]oxolane-3-sulfonamide (CID 102557533) is N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]oxolane-3-sulfonamide.
What is the SMILES notation for N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]oxolane-3-sulfonamide?
The canonical SMILES for N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]oxolane-3-sulfonamide is O=S(=O)(NCC1CCN(Cc2ccccc2F)CC1)C1CCOC1.
What is the InChIKey of N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]oxolane-3-sulfonamide?
The InChIKey is AUTXFAVUNKIUBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O3S/c18-17-4-2-1-3-15(17)12-20-8-5-14(6-9-20)11-19-24(21,22)16-7-10-23-13-16/h1-4,14,16,19H,5-13H2.
What are the key properties of N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]oxolane-3-sulfonamide?
N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]oxolane-3-sulfonamide has a molecular weight of 356.46 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]oxolane-3-sulfonamide is sourced from PubChem (CID 102557533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).