N-(3,3-difluorocyclobutyl)propane-2-sulfonamide

C7H13F2NO2S — CID 170176051

IUPACN-(3,3-difluorocyclobutyl)propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NC1CC(F)(F)C1
InChIInChI=1S/C7H13F2NO2S/c1-5(2)13(11,12)10-6-3-7(8,9)4-6/h5-6,10H,3-4H2,1-2H3
InChIKeyJSUBKZAPOUWEBL-UHFFFAOYSA-N
MW213.25 g/mol
LogP1.11
Rot. Bonds3

About N-(3,3-difluorocyclobutyl)propane-2-sulfonamide

N-(3,3-difluorocyclobutyl)propane-2-sulfonamide (PubChem CID 170176051) has the molecular formula C7H13F2NO2S and a molecular weight of 213.25 g/mol. Its IUPAC name is N-(3,3-difluorocyclobutyl)propane-2-sulfonamide.

Molecular Properties

Compound NameN-(3,3-difluorocyclobutyl)propane-2-sulfonamide
PubChem CID170176051
Molecular FormulaC7H13F2NO2S
Molecular Weight213.25 g/mol
Exact Mass213.06
IUPAC NameN-(3,3-difluorocyclobutyl)propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NC1CC(F)(F)C1
InChIInChI=1S/C7H13F2NO2S/c1-5(2)13(11,12)10-6-3-7(8,9)4-6/h5-6,10H,3-4H2,1-2H3
InChIKeyJSUBKZAPOUWEBL-UHFFFAOYSA-N
XLogP1.11
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.25
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(3,3-difluorocyclobutyl)propane-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-3,3,3-trifluoro-N,N-dimethylpropane-1-sulfonamide
CID 119030899
N-ethyl-2,2,2-trifluoroethanesulfonamide
CID 20718448
N-(2,2,2-trifluoroethyl)butane-2-sulfonamide
CID 21029736
n-(3,3-Difluoro-cyclobutyl)-methanesulfonamide
CID 22500956
N-cyclobutyl-1,1,1-trifluoromethanesulfonamide
CID 23208885
N-ethyl-2,2-difluoroethanesulfonamide
CID 54439869
2,2-difluoro-N-propan-2-ylpropane-1-sulfonamide
CID 58525236
2,2,2-trifluoro-N-propan-2-ylethanesulfonamide
CID 59302447
1,1-difluoro-N-propan-2-ylmethanesulfonamide
CID 64295572
N-(3,3,3-trifluoropropyl)propane-2-sulfonamide
CID 64585926
N-(2,2,2-trifluoroethyl)propane-2-sulfonamide
CID 64592543
N-(4,4,4-trifluorobutyl)ethanesulfonamide
CID 79041083

Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluorocyclobutyl)propane-2-sulfonamide?
The IUPAC name of N-(3,3-difluorocyclobutyl)propane-2-sulfonamide (CID 170176051) is N-(3,3-difluorocyclobutyl)propane-2-sulfonamide.
What is the SMILES notation for N-(3,3-difluorocyclobutyl)propane-2-sulfonamide?
The canonical SMILES for N-(3,3-difluorocyclobutyl)propane-2-sulfonamide is CC(C)S(=O)(=O)NC1CC(F)(F)C1.
What is the InChIKey of N-(3,3-difluorocyclobutyl)propane-2-sulfonamide?
The InChIKey is JSUBKZAPOUWEBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NO2S/c1-5(2)13(11,12)10-6-3-7(8,9)4-6/h5-6,10H,3-4H2,1-2H3.
What are the key properties of N-(3,3-difluorocyclobutyl)propane-2-sulfonamide?
N-(3,3-difluorocyclobutyl)propane-2-sulfonamide has a molecular weight of 213.25 g/mol, XLogP of 1.11, 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)propane-2-sulfonamide is sourced from PubChem (CID 170176051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).