N-(3,3-difluorocyclobutyl)-2,2-dimethylpropane-1-sulfonamide

C9H17F2NO2S — CID 169016747

IUPACN-(3,3-difluorocyclobutyl)-2,2-dimethylpropane-1-sulfonamide
SMILESCC(C)(C)CS(=O)(=O)NC1CC(F)(F)C1
InChIInChI=1S/C9H17F2NO2S/c1-8(2,3)6-15(13,14)12-7-4-9(10,11)5-7/h7,12H,4-6H2,1-3H3
InChIKeyPVRHYGTXUUABKU-UHFFFAOYSA-N
MW241.30 g/mol
LogP1.75
Rot. Bonds3

About N-(3,3-difluorocyclobutyl)-2,2-dimethylpropane-1-sulfonamide

N-(3,3-difluorocyclobutyl)-2,2-dimethylpropane-1-sulfonamide (PubChem CID 169016747) has the molecular formula C9H17F2NO2S and a molecular weight of 241.30 g/mol. Its IUPAC name is N-(3,3-difluorocyclobutyl)-2,2-dimethylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-(3,3-difluorocyclobutyl)-2,2-dimethylpropane-1-sulfonamide
PubChem CID169016747
Molecular FormulaC9H17F2NO2S
Molecular Weight241.30 g/mol
Exact Mass241.09
IUPAC NameN-(3,3-difluorocyclobutyl)-2,2-dimethylpropane-1-sulfonamide
SMILESCC(C)(C)CS(=O)(=O)NC1CC(F)(F)C1
InChIInChI=1S/C9H17F2NO2S/c1-8(2,3)6-15(13,14)12-7-4-9(10,11)5-7/h7,12H,4-6H2,1-3H3
InChIKeyPVRHYGTXUUABKU-UHFFFAOYSA-N
XLogP1.75
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.30
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluorocyclobutyl)-2,2-dimethylpropane-1-sulfonamide?
The IUPAC name of N-(3,3-difluorocyclobutyl)-2,2-dimethylpropane-1-sulfonamide (CID 169016747) is N-(3,3-difluorocyclobutyl)-2,2-dimethylpropane-1-sulfonamide.
What is the SMILES notation for N-(3,3-difluorocyclobutyl)-2,2-dimethylpropane-1-sulfonamide?
The canonical SMILES for N-(3,3-difluorocyclobutyl)-2,2-dimethylpropane-1-sulfonamide is CC(C)(C)CS(=O)(=O)NC1CC(F)(F)C1.
What is the InChIKey of N-(3,3-difluorocyclobutyl)-2,2-dimethylpropane-1-sulfonamide?
The InChIKey is PVRHYGTXUUABKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO2S/c1-8(2,3)6-15(13,14)12-7-4-9(10,11)5-7/h7,12H,4-6H2,1-3H3.
What are the key properties of N-(3,3-difluorocyclobutyl)-2,2-dimethylpropane-1-sulfonamide?
N-(3,3-difluorocyclobutyl)-2,2-dimethylpropane-1-sulfonamide has a molecular weight of 241.30 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluorocyclobutyl)-2,2-dimethylpropane-1-sulfonamide is sourced from PubChem (CID 169016747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).