N-(2-cyclopropyl-2-hydroxyethyl)-1,1-difluoromethanesulfonamide

C6H11F2NO3S — CID 63299020

IUPACN-(2-cyclopropyl-2-hydroxyethyl)-1,1-difluoromethanesulfonamide
SMILESO=S(=O)(NCC(O)C1CC1)C(F)F
InChIInChI=1S/C6H11F2NO3S/c7-6(8)13(11,12)9-3-5(10)4-1-2-4/h4-6,9-10H,1-3H2
InChIKeyGMILKIYFQZMDAG-UHFFFAOYSA-N
MW215.22 g/mol
LogP-0.10
Rot. Bonds5

About N-(2-cyclopropyl-2-hydroxyethyl)-1,1-difluoromethanesulfonamide

N-(2-cyclopropyl-2-hydroxyethyl)-1,1-difluoromethanesulfonamide (PubChem CID 63299020) has the molecular formula C6H11F2NO3S and a molecular weight of 215.22 g/mol. Its IUPAC name is N-(2-cyclopropyl-2-hydroxyethyl)-1,1-difluoromethanesulfonamide.

Molecular Properties

Compound NameN-(2-cyclopropyl-2-hydroxyethyl)-1,1-difluoromethanesulfonamide
PubChem CID63299020
Molecular FormulaC6H11F2NO3S
Molecular Weight215.22 g/mol
Exact Mass215.04
IUPAC NameN-(2-cyclopropyl-2-hydroxyethyl)-1,1-difluoromethanesulfonamide
SMILESO=S(=O)(NCC(O)C1CC1)C(F)F
InChIInChI=1S/C6H11F2NO3S/c7-6(8)13(11,12)9-3-5(10)4-1-2-4/h4-6,9-10H,1-3H2
InChIKeyGMILKIYFQZMDAG-UHFFFAOYSA-N
XLogP-0.10
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.22
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyclopropyl-2-hydroxyethyl)-1,1,1-trifluoromethanesulfonamide
CID 63298386
1,1-difluoro-N-[(3-hydroxycyclobutyl)methyl]methanesulfonamide
CID 66004826
1,1,1-trifluoro-N-[(3-hydroxycyclobutyl)methyl]methanesulfonamide
CID 66005885
N-(2-cyclopropyl-2-hydroxyethyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83058645
1,1-difluoro-N-(2-hydroxy-4-methylpentyl)methanesulfonamide
CID 103834315
N-(3-ethyl-2-hydroxypentyl)-1,1-difluoromethanesulfonamide
CID 103835117
N-(3-ethyl-2-hydroxypentyl)-1,1,1-trifluoromethanesulfonamide
CID 106288430
1,1,1-trifluoro-N-(2-hydroxy-4-methylpentyl)methanesulfonamide
CID 107155391
1-Cyclopropyl-2-(2,2,2-trifluoroethylsulfamoylamino)ethanol
CID 114809506
1,1-difluoro-N-(2-hydroxypentyl)methanesulfonamide
CID 115754440
1,1-difluoro-N-(2-hydroxy-3-methylbutyl)methanesulfonamide
CID 115754938
1,1,1-trifluoro-N-(2-hydroxy-3-methylbutyl)methanesulfonamide
CID 116243510

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-2-hydroxyethyl)-1,1-difluoromethanesulfonamide?
The IUPAC name of N-(2-cyclopropyl-2-hydroxyethyl)-1,1-difluoromethanesulfonamide (CID 63299020) is N-(2-cyclopropyl-2-hydroxyethyl)-1,1-difluoromethanesulfonamide.
What is the SMILES notation for N-(2-cyclopropyl-2-hydroxyethyl)-1,1-difluoromethanesulfonamide?
The canonical SMILES for N-(2-cyclopropyl-2-hydroxyethyl)-1,1-difluoromethanesulfonamide is O=S(=O)(NCC(O)C1CC1)C(F)F.
What is the InChIKey of N-(2-cyclopropyl-2-hydroxyethyl)-1,1-difluoromethanesulfonamide?
The InChIKey is GMILKIYFQZMDAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2NO3S/c7-6(8)13(11,12)9-3-5(10)4-1-2-4/h4-6,9-10H,1-3H2.
What are the key properties of N-(2-cyclopropyl-2-hydroxyethyl)-1,1-difluoromethanesulfonamide?
N-(2-cyclopropyl-2-hydroxyethyl)-1,1-difluoromethanesulfonamide has a molecular weight of 215.22 g/mol, XLogP of -0.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyl-2-hydroxyethyl)-1,1-difluoromethanesulfonamide is sourced from PubChem (CID 63299020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).