N-ethyl-2,5-difluoro-N-piperidin-4-ylbenzenesulfonamide

C13H18F2N2O2S — CID 60806262

IUPACN-ethyl-2,5-difluoro-N-piperidin-4-ylbenzenesulfonamide
SMILESCCN(C1CCNCC1)S(=O)(=O)c1cc(F)ccc1F
InChIInChI=1S/C13H18F2N2O2S/c1-2-17(11-5-7-16-8-6-11)20(18,19)13-9-10(14)3-4-12(13)15/h3-4,9,11,16H,2,5-8H2,1H3
InChIKeyXWIKTXGQKBBZIS-UHFFFAOYSA-N
MW304.36 g/mol
LogP1.73
Rot. Bonds4

About N-ethyl-2,5-difluoro-N-piperidin-4-ylbenzenesulfonamide

N-ethyl-2,5-difluoro-N-piperidin-4-ylbenzenesulfonamide (PubChem CID 60806262) has the molecular formula C13H18F2N2O2S and a molecular weight of 304.36 g/mol. Its IUPAC name is N-ethyl-2,5-difluoro-N-piperidin-4-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-2,5-difluoro-N-piperidin-4-ylbenzenesulfonamide
PubChem CID60806262
Molecular FormulaC13H18F2N2O2S
Molecular Weight304.36 g/mol
Exact Mass304.11
IUPAC NameN-ethyl-2,5-difluoro-N-piperidin-4-ylbenzenesulfonamide
SMILESCCN(C1CCNCC1)S(=O)(=O)c1cc(F)ccc1F
InChIInChI=1S/C13H18F2N2O2S/c1-2-17(11-5-7-16-8-6-11)20(18,19)13-9-10(14)3-4-12(13)15/h3-4,9,11,16H,2,5-8H2,1H3
InChIKeyXWIKTXGQKBBZIS-UHFFFAOYSA-N
XLogP1.73
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-N-ethyl-2,5-difluorobenzenesulfonamide
CID 60516548
2-chloro-N-ethyl-4-fluoro-N-piperidin-4-ylbenzenesulfonamide
CID 60806432
N-ethyl-3-fluoro-N-piperidin-4-ylbenzenesulfonamide
CID 60806933
2-chloro-N-ethyl-4-fluoro-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63299481
2-chloro-4-fluoro-N-piperidin-4-yl-N-propylbenzenesulfonamide
CID 60807123
2-bromo-4-fluoro-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride
CID 119993945
N-ethyl-4-fluoro-N-pyrrolidin-3-ylbenzenesulfonamide
CID 60806159
N-cyclopropyl-2,5-difluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 43577623
N-cyclobutyl-2,5-difluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 102675891
N-(azetidin-3-yl)-N-ethyl-2-fluoro-5-methylsulfonylbenzenesulfonamide
CID 66183403
4-bromo-N-ethyl-2-fluoro-N-pyrrolidin-3-ylbenzenesulfonamide
CID 116527878
N-ethyl-4-fluoro-2-methyl-N-piperidin-3-ylbenzenesulfonamide
CID 60805705

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,5-difluoro-N-piperidin-4-ylbenzenesulfonamide?
The IUPAC name of N-ethyl-2,5-difluoro-N-piperidin-4-ylbenzenesulfonamide (CID 60806262) is N-ethyl-2,5-difluoro-N-piperidin-4-ylbenzenesulfonamide.
What is the SMILES notation for N-ethyl-2,5-difluoro-N-piperidin-4-ylbenzenesulfonamide?
The canonical SMILES for N-ethyl-2,5-difluoro-N-piperidin-4-ylbenzenesulfonamide is CCN(C1CCNCC1)S(=O)(=O)c1cc(F)ccc1F.
What is the InChIKey of N-ethyl-2,5-difluoro-N-piperidin-4-ylbenzenesulfonamide?
The InChIKey is XWIKTXGQKBBZIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O2S/c1-2-17(11-5-7-16-8-6-11)20(18,19)13-9-10(14)3-4-12(13)15/h3-4,9,11,16H,2,5-8H2,1H3.
What are the key properties of N-ethyl-2,5-difluoro-N-piperidin-4-ylbenzenesulfonamide?
N-ethyl-2,5-difluoro-N-piperidin-4-ylbenzenesulfonamide has a molecular weight of 304.36 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,5-difluoro-N-piperidin-4-ylbenzenesulfonamide is sourced from PubChem (CID 60806262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).