N-[(1-cyclopentylpiperidin-4-yl)methyl]-3-fluorobenzenesulfonamide

C17H25FN2O2S — CID 16887715

IUPACN-[(1-cyclopentylpiperidin-4-yl)methyl]-3-fluorobenzenesulfonamide
SMILESO=S(=O)(NCC1CCN(C2CCCC2)CC1)c1cccc(F)c1
InChIInChI=1S/C17H25FN2O2S/c18-15-4-3-7-17(12-15)23(21,22)19-13-14-8-10-20(11-9-14)16-5-1-2-6-16/h3-4,7,12,14,16,19H,1-2,5-6,8-11,13H2
InChIKeyCHONRDBATNRYQZ-UHFFFAOYSA-N
MW340.46 g/mol
LogP2.76
Rot. Bonds5

About N-[(1-cyclopentylpiperidin-4-yl)methyl]-3-fluorobenzenesulfonamide

N-[(1-cyclopentylpiperidin-4-yl)methyl]-3-fluorobenzenesulfonamide (PubChem CID 16887715) has the molecular formula C17H25FN2O2S and a molecular weight of 340.46 g/mol. Its IUPAC name is N-[(1-cyclopentylpiperidin-4-yl)methyl]-3-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[(1-cyclopentylpiperidin-4-yl)methyl]-3-fluorobenzenesulfonamide
PubChem CID16887715
Molecular FormulaC17H25FN2O2S
Molecular Weight340.46 g/mol
Exact Mass340.16
IUPAC NameN-[(1-cyclopentylpiperidin-4-yl)methyl]-3-fluorobenzenesulfonamide
SMILESO=S(=O)(NCC1CCN(C2CCCC2)CC1)c1cccc(F)c1
InChIInChI=1S/C17H25FN2O2S/c18-15-4-3-7-17(12-15)23(21,22)19-13-14-8-10-20(11-9-14)16-5-1-2-6-16/h3-4,7,12,14,16,19H,1-2,5-6,8-11,13H2
InChIKeyCHONRDBATNRYQZ-UHFFFAOYSA-N
XLogP2.76
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.46
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-benzylpiperidin-4-yl)methyl]-3-fluorobenzenesulfonamide
CID 16887794
N-[(4-chlorocyclohexyl)methyl]-3-fluorobenzenesulfonamide
CID 114148380
3-fluoro-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 16887867
3-chloro-N-[[1-(thian-4-yl)piperidin-4-yl]methyl]benzenesulfonamide
CID 91814268
3-fluoro-N-[(1-pyridin-3-ylpiperidin-4-yl)methyl]benzenesulfonamide
CID 91624838
4-fluoro-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]benzenesulfonamide
CID 121109566
N-[(3-chlorocyclopentyl)methyl]-3-fluorobenzenesulfonamide
CID 106135235
N-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 119104068
3-fluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride
CID 119974220
3-chloro-N-(cyclopentylmethyl)benzenesulfonamide
CID 43066015
3-(cyclopentylmethylsulfamoyl)benzenesulfonyl chloride
CID 43371192
N-[(1-cyclopentylpiperidin-4-yl)methyl]-2,5-dimethylbenzenesulfonamide
CID 16887727

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopentylpiperidin-4-yl)methyl]-3-fluorobenzenesulfonamide?
The IUPAC name of N-[(1-cyclopentylpiperidin-4-yl)methyl]-3-fluorobenzenesulfonamide (CID 16887715) is N-[(1-cyclopentylpiperidin-4-yl)methyl]-3-fluorobenzenesulfonamide.
What is the SMILES notation for N-[(1-cyclopentylpiperidin-4-yl)methyl]-3-fluorobenzenesulfonamide?
The canonical SMILES for N-[(1-cyclopentylpiperidin-4-yl)methyl]-3-fluorobenzenesulfonamide is O=S(=O)(NCC1CCN(C2CCCC2)CC1)c1cccc(F)c1.
What is the InChIKey of N-[(1-cyclopentylpiperidin-4-yl)methyl]-3-fluorobenzenesulfonamide?
The InChIKey is CHONRDBATNRYQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O2S/c18-15-4-3-7-17(12-15)23(21,22)19-13-14-8-10-20(11-9-14)16-5-1-2-6-16/h3-4,7,12,14,16,19H,1-2,5-6,8-11,13H2.
What are the key properties of N-[(1-cyclopentylpiperidin-4-yl)methyl]-3-fluorobenzenesulfonamide?
N-[(1-cyclopentylpiperidin-4-yl)methyl]-3-fluorobenzenesulfonamide has a molecular weight of 340.46 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopentylpiperidin-4-yl)methyl]-3-fluorobenzenesulfonamide is sourced from PubChem (CID 16887715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).