3,4-difluoro-N-(1-piperidin-2-ylethyl)benzenesulfonamide

C13H18F2N2O2S — CID 43523505

IUPAC3,4-difluoro-N-(1-piperidin-2-ylethyl)benzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccc(F)c(F)c1)C1CCCCN1
InChIInChI=1S/C13H18F2N2O2S/c1-9(13-4-2-3-7-16-13)17-20(18,19)10-5-6-11(14)12(15)8-10/h5-6,8-9,13,16-17H,2-4,7H2,1H3
InChIKeyHVYNZFGOWDTLRL-UHFFFAOYSA-N
MW304.36 g/mol
LogP1.77
Rot. Bonds4

About 3,4-difluoro-N-(1-piperidin-2-ylethyl)benzenesulfonamide

3,4-difluoro-N-(1-piperidin-2-ylethyl)benzenesulfonamide (PubChem CID 43523505) has the molecular formula C13H18F2N2O2S and a molecular weight of 304.36 g/mol. Its IUPAC name is 3,4-difluoro-N-(1-piperidin-2-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name3,4-difluoro-N-(1-piperidin-2-ylethyl)benzenesulfonamide
PubChem CID43523505
Molecular FormulaC13H18F2N2O2S
Molecular Weight304.36 g/mol
Exact Mass304.11
IUPAC Name3,4-difluoro-N-(1-piperidin-2-ylethyl)benzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccc(F)c(F)c1)C1CCCCN1
InChIInChI=1S/C13H18F2N2O2S/c1-9(13-4-2-3-7-16-13)17-20(18,19)10-5-6-11(14)12(15)8-10/h5-6,8-9,13,16-17H,2-4,7H2,1H3
InChIKeyHVYNZFGOWDTLRL-UHFFFAOYSA-N
XLogP1.77
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-difluoro-N-(1-piperidin-3-ylethyl)benzenesulfonamide;hydrochloride
CID 119970228
N-(1-piperidin-2-ylethyl)-1H-pyrazole-4-sulfonamide
CID 54937018
4-bromo-N-(1-cyclopentylethyl)-3-fluorobenzenesulfonamide
CID 103697627
5-[[(1R)-1-cyclopentylethyl]sulfamoyl]-N-(3,4-difluorophenyl)-2-fluorobenzamide
CID 90269965
3,4-difluoro-N-[(2S,3S)-2-methylpiperidin-3-yl]benzenesulfonamide
CID 124515718
2-[1-(sulfamoylamino)ethyl]piperidine
CID 114959083
2-[1-(3,4-difluorophenoxy)ethyl]piperidine
CID 117051161
N-(1-piperidin-2-ylethyl)cyclopropanesulfonamide
CID 64554092
N-(1-piperidin-2-ylethyl)ethanesulfonamide
CID 43523526
N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]piperidine-2-carboxamide
CID 119270164
4-bromo-3-fluoro-N-(1-piperidin-3-ylethyl)benzenesulfonamide
CID 103828938
N-cyclohexyl-3,4-difluorobenzenesulfonamide
CID 19681091

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-(1-piperidin-2-ylethyl)benzenesulfonamide?
The IUPAC name of 3,4-difluoro-N-(1-piperidin-2-ylethyl)benzenesulfonamide (CID 43523505) is 3,4-difluoro-N-(1-piperidin-2-ylethyl)benzenesulfonamide.
What is the SMILES notation for 3,4-difluoro-N-(1-piperidin-2-ylethyl)benzenesulfonamide?
The canonical SMILES for 3,4-difluoro-N-(1-piperidin-2-ylethyl)benzenesulfonamide is CC(NS(=O)(=O)c1ccc(F)c(F)c1)C1CCCCN1.
What is the InChIKey of 3,4-difluoro-N-(1-piperidin-2-ylethyl)benzenesulfonamide?
The InChIKey is HVYNZFGOWDTLRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O2S/c1-9(13-4-2-3-7-16-13)17-20(18,19)10-5-6-11(14)12(15)8-10/h5-6,8-9,13,16-17H,2-4,7H2,1H3.
What are the key properties of 3,4-difluoro-N-(1-piperidin-2-ylethyl)benzenesulfonamide?
3,4-difluoro-N-(1-piperidin-2-ylethyl)benzenesulfonamide has a molecular weight of 304.36 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-(1-piperidin-2-ylethyl)benzenesulfonamide is sourced from PubChem (CID 43523505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).