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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).