4-fluoro-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]benzenesulfonamide

C17H25FN2O3S — CID 121109566

IUPAC4-fluoro-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]benzenesulfonamide
SMILESO=S(=O)(NCC1CCN(C2CCOCC2)CC1)c1ccc(F)cc1
InChIInChI=1S/C17H25FN2O3S/c18-15-1-3-17(4-2-15)24(21,22)19-13-14-5-9-20(10-6-14)16-7-11-23-12-8-16/h1-4,14,16,19H,5-13H2
InChIKeyGOGMCVBTNKMQQH-UHFFFAOYSA-N
MW356.46 g/mol
LogP2.00
Rot. Bonds5

About 4-fluoro-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]benzenesulfonamide

4-fluoro-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]benzenesulfonamide (PubChem CID 121109566) has the molecular formula C17H25FN2O3S and a molecular weight of 356.46 g/mol. Its IUPAC name is 4-fluoro-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]benzenesulfonamide
PubChem CID121109566
Molecular FormulaC17H25FN2O3S
Molecular Weight356.46 g/mol
Exact Mass356.16
IUPAC Name4-fluoro-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]benzenesulfonamide
SMILESO=S(=O)(NCC1CCN(C2CCOCC2)CC1)c1ccc(F)cc1
InChIInChI=1S/C17H25FN2O3S/c18-15-1-3-17(4-2-15)24(21,22)19-13-14-5-9-20(10-6-14)16-7-11-23-12-8-16/h1-4,14,16,19H,5-13H2
InChIKeyGOGMCVBTNKMQQH-UHFFFAOYSA-N
XLogP2.00
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.46
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]benzenesulfonamide
CID 119104065
2-methoxy-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]benzenesulfonamide
CID 121109576
4-(oxan-4-ylmethylsulfamoyl)benzenesulfonyl fluoride
CID 114958320
N-[(1-cyclopentylpiperidin-4-yl)methyl]-3-fluorobenzenesulfonamide
CID 16887715
4-(bromomethyl)-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 65481629
4-fluoro-N-[(4-methylcyclohexyl)methyl]benzenesulfonamide
CID 55136827
N-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 119104068
N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
CID 91813049
N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]-2-phenylethanesulfonamide
CID 121109573
4-fluoro-N-[[1-(4-methylphenyl)pyrrolidin-3-yl]methyl]benzenesulfonamide
CID 110640404
4-fluoro-N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 90521856
tert-butyl 4-[[(4-fluorophenyl)sulfonylamino]methyl]piperidine-1-carboxylate
CID 18374698

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]benzenesulfonamide (CID 121109566) is 4-fluoro-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]benzenesulfonamide is O=S(=O)(NCC1CCN(C2CCOCC2)CC1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]benzenesulfonamide?
The InChIKey is GOGMCVBTNKMQQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O3S/c18-15-1-3-17(4-2-15)24(21,22)19-13-14-5-9-20(10-6-14)16-7-11-23-12-8-16/h1-4,14,16,19H,5-13H2.
What are the key properties of 4-fluoro-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]benzenesulfonamide?
4-fluoro-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]benzenesulfonamide has a molecular weight of 356.46 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 121109566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).