N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)piperidine-4-sulfonamide

C9H18F2N2O3S — CID 107480952

IUPACN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)piperidine-4-sulfonamide
SMILESO=S(=O)(C1CCNCC1)N(CCO)CC(F)F
InChIInChI=1S/C9H18F2N2O3S/c10-9(11)7-13(5-6-14)17(15,16)8-1-3-12-4-2-8/h8-9,12,14H,1-7H2
InChIKeyREWXETPLUDJYLK-UHFFFAOYSA-N
MW272.32 g/mol
LogP-0.37
Rot. Bonds6

About N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)piperidine-4-sulfonamide

N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)piperidine-4-sulfonamide (PubChem CID 107480952) has the molecular formula C9H18F2N2O3S and a molecular weight of 272.32 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)piperidine-4-sulfonamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)piperidine-4-sulfonamide
PubChem CID107480952
Molecular FormulaC9H18F2N2O3S
Molecular Weight272.32 g/mol
Exact Mass272.10
IUPAC NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)piperidine-4-sulfonamide
SMILESO=S(=O)(C1CCNCC1)N(CCO)CC(F)F
InChIInChI=1S/C9H18F2N2O3S/c10-9(11)7-13(5-6-14)17(15,16)8-1-3-12-4-2-8/h8-9,12,14H,1-7H2
InChIKeyREWXETPLUDJYLK-UHFFFAOYSA-N
XLogP-0.37
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-N-(2,2-difluoroethyl)cyclopropanesulfonamide
CID 107493817
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)piperidine-4-carboxamide
CID 107479357
2-[[cyclohexyl(methyl)sulfamoyl]-(2,2-difluoroethyl)amino]ethanol
CID 107483682
N,N-bis(2-ethoxyethyl)piperidine-4-sulfonamide
CID 82952228
N-(2-hydroxyethyl)-N-pentan-3-ylpyrrolidine-3-sulfonamide
CID 65420490
N-(2-hydroxyethyl)-2-piperidin-4-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide
CID 107480045
2-[[2,2-difluoroethyl(2-hydroxyethyl)sulfamoyl]amino]-2-methylpropane
CID 107483602
2-[2,2-difluoroethyl(piperidin-3-ylmethyl)amino]ethanol
CID 107494945
N-ethyl-N-(2-hydroxyethyl)-1,1-dioxothiane-4-sulfonamide
CID 62086021
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-piperidin-4-ylpyrrolidine-2-carboxamide
CID 107479359
1-[4-(aminomethyl)phenyl]-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)methanesulfonamide
CID 107479114
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)piperidine-2-carboxamide
CID 107479497

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)piperidine-4-sulfonamide?
The IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)piperidine-4-sulfonamide (CID 107480952) is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)piperidine-4-sulfonamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)piperidine-4-sulfonamide?
The canonical SMILES for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)piperidine-4-sulfonamide is O=S(=O)(C1CCNCC1)N(CCO)CC(F)F.
What is the InChIKey of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)piperidine-4-sulfonamide?
The InChIKey is REWXETPLUDJYLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F2N2O3S/c10-9(11)7-13(5-6-14)17(15,16)8-1-3-12-4-2-8/h8-9,12,14H,1-7H2.
What are the key properties of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)piperidine-4-sulfonamide?
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)piperidine-4-sulfonamide has a molecular weight of 272.32 g/mol, XLogP of -0.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)piperidine-4-sulfonamide is sourced from PubChem (CID 107480952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).