N-[(3-ethylpiperidin-2-yl)methyl]-2,4-difluorobenzenesulfonamide

C14H20F2N2O2S — CID 82736170

IUPACN-[(3-ethylpiperidin-2-yl)methyl]-2,4-difluorobenzenesulfonamide
SMILESCCC1CCCNC1CNS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C14H20F2N2O2S/c1-2-10-4-3-7-17-13(10)9-18-21(19,20)14-6-5-11(15)8-12(14)16/h5-6,8,10,13,17-18H,2-4,7,9H2,1H3
InChIKeyYNIPKEIWVQGVNJ-UHFFFAOYSA-N
MW318.39 g/mol
LogP2.02
Rot. Bonds5

About N-[(3-ethylpiperidin-2-yl)methyl]-2,4-difluorobenzenesulfonamide

N-[(3-ethylpiperidin-2-yl)methyl]-2,4-difluorobenzenesulfonamide (PubChem CID 82736170) has the molecular formula C14H20F2N2O2S and a molecular weight of 318.39 g/mol. Its IUPAC name is N-[(3-ethylpiperidin-2-yl)methyl]-2,4-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[(3-ethylpiperidin-2-yl)methyl]-2,4-difluorobenzenesulfonamide
PubChem CID82736170
Molecular FormulaC14H20F2N2O2S
Molecular Weight318.39 g/mol
Exact Mass318.12
IUPAC NameN-[(3-ethylpiperidin-2-yl)methyl]-2,4-difluorobenzenesulfonamide
SMILESCCC1CCCNC1CNS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C14H20F2N2O2S/c1-2-10-4-3-7-17-13(10)9-18-21(19,20)14-6-5-11(15)8-12(14)16/h5-6,8,10,13,17-18H,2-4,7,9H2,1H3
InChIKeyYNIPKEIWVQGVNJ-UHFFFAOYSA-N
XLogP2.02
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.39
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-ethylpiperidin-2-yl)methyl]benzenesulfonamide
CID 82734868
2,4-difluoro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide
CID 104972390
N-[(3-ethylpiperidin-2-yl)methyl]-2-methylpropane-2-sulfonamide
CID 82735476
N-[(3-ethylpiperidin-2-yl)methyl]-1H-imidazole-5-sulfonamide
CID 82735588
N-[(3-ethylpiperidin-2-yl)methyl]-2-(4-fluorophenyl)acetamide
CID 82734161
2-chloro-4-fluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride
CID 119974387
2,5-difluoro-N-(piperidin-2-ylmethyl)benzenesulfonamide
CID 43344425
5-bromo-2,4-difluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 119974330
2,4-difluoro-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 110875681
2-bromo-4-fluoro-N-[(2-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 64913293
3-fluoro-N-[(3-methylpiperidin-2-yl)methyl]benzenesulfonamide
CID 63305065
1-cyclohexyl-N-[(3-ethylpiperidin-2-yl)methyl]methanesulfonamide
CID 82734539

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethylpiperidin-2-yl)methyl]-2,4-difluorobenzenesulfonamide?
The IUPAC name of N-[(3-ethylpiperidin-2-yl)methyl]-2,4-difluorobenzenesulfonamide (CID 82736170) is N-[(3-ethylpiperidin-2-yl)methyl]-2,4-difluorobenzenesulfonamide.
What is the SMILES notation for N-[(3-ethylpiperidin-2-yl)methyl]-2,4-difluorobenzenesulfonamide?
The canonical SMILES for N-[(3-ethylpiperidin-2-yl)methyl]-2,4-difluorobenzenesulfonamide is CCC1CCCNC1CNS(=O)(=O)c1ccc(F)cc1F.
What is the InChIKey of N-[(3-ethylpiperidin-2-yl)methyl]-2,4-difluorobenzenesulfonamide?
The InChIKey is YNIPKEIWVQGVNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O2S/c1-2-10-4-3-7-17-13(10)9-18-21(19,20)14-6-5-11(15)8-12(14)16/h5-6,8,10,13,17-18H,2-4,7,9H2,1H3.
What are the key properties of N-[(3-ethylpiperidin-2-yl)methyl]-2,4-difluorobenzenesulfonamide?
N-[(3-ethylpiperidin-2-yl)methyl]-2,4-difluorobenzenesulfonamide has a molecular weight of 318.39 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethylpiperidin-2-yl)methyl]-2,4-difluorobenzenesulfonamide is sourced from PubChem (CID 82736170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).