N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)propane-2-sulfonamide

C7H15F2NO3S — CID 107483546

IUPACN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)N(CCO)CC(F)F
InChIInChI=1S/C7H15F2NO3S/c1-6(2)14(12,13)10(3-4-11)5-7(8)9/h6-7,11H,3-5H2,1-2H3
InChIKeyMXUNSVWRFKDBHR-UHFFFAOYSA-N
MW231.26 g/mol
LogP0.28
Rot. Bonds6

About N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)propane-2-sulfonamide

N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)propane-2-sulfonamide (PubChem CID 107483546) has the molecular formula C7H15F2NO3S and a molecular weight of 231.26 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)propane-2-sulfonamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)propane-2-sulfonamide
PubChem CID107483546
Molecular FormulaC7H15F2NO3S
Molecular Weight231.26 g/mol
Exact Mass231.07
IUPAC NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)N(CCO)CC(F)F
InChIInChI=1S/C7H15F2NO3S/c1-6(2)14(12,13)10(3-4-11)5-7(8)9/h6-7,11H,3-5H2,1-2H3
InChIKeyMXUNSVWRFKDBHR-UHFFFAOYSA-N
XLogP0.28
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)propane-2-sulfonamide?
The IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)propane-2-sulfonamide (CID 107483546) is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)propane-2-sulfonamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)propane-2-sulfonamide?
The canonical SMILES for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)propane-2-sulfonamide is CC(C)S(=O)(=O)N(CCO)CC(F)F.
What is the InChIKey of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)propane-2-sulfonamide?
The InChIKey is MXUNSVWRFKDBHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15F2NO3S/c1-6(2)14(12,13)10(3-4-11)5-7(8)9/h6-7,11H,3-5H2,1-2H3.
What are the key properties of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)propane-2-sulfonamide?
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)propane-2-sulfonamide has a molecular weight of 231.26 g/mol, XLogP of 0.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)propane-2-sulfonamide is sourced from PubChem (CID 107483546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).