N-(1,1-difluoroethyl)-2,2,3,3-tetramethylpentane-1-sulfonamide

C11H23F2NO2S — CID 139325517

IUPACN-(1,1-difluoroethyl)-2,2,3,3-tetramethylpentane-1-sulfonamide
SMILESCCC(C)(C)C(C)(C)CS(=O)(=O)NC(C)(F)F
InChIInChI=1S/C11H23F2NO2S/c1-7-9(2,3)10(4,5)8-17(15,16)14-11(6,12)13/h14H,7-8H2,1-6H3
InChIKeyQQFKYBFXSVEMDX-UHFFFAOYSA-N
MW271.37 g/mol
LogP2.98
Rot. Bonds6

About N-(1,1-difluoroethyl)-2,2,3,3-tetramethylpentane-1-sulfonamide

N-(1,1-difluoroethyl)-2,2,3,3-tetramethylpentane-1-sulfonamide (PubChem CID 139325517) has the molecular formula C11H23F2NO2S and a molecular weight of 271.37 g/mol. Its IUPAC name is N-(1,1-difluoroethyl)-2,2,3,3-tetramethylpentane-1-sulfonamide.

Molecular Properties

Compound NameN-(1,1-difluoroethyl)-2,2,3,3-tetramethylpentane-1-sulfonamide
PubChem CID139325517
Molecular FormulaC11H23F2NO2S
Molecular Weight271.37 g/mol
Exact Mass271.14
IUPAC NameN-(1,1-difluoroethyl)-2,2,3,3-tetramethylpentane-1-sulfonamide
SMILESCCC(C)(C)C(C)(C)CS(=O)(=O)NC(C)(F)F
InChIInChI=1S/C11H23F2NO2S/c1-7-9(2,3)10(4,5)8-17(15,16)14-11(6,12)13/h14H,7-8H2,1-6H3
InChIKeyQQFKYBFXSVEMDX-UHFFFAOYSA-N
XLogP2.98
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze N-(1,1-difluoroethyl)-2,2,3,3-tetramethylpentane-1-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

CID 58124376
CID 58124376
CID 91420589
CID 91420589
CID 123584588
CID 123584588
CID 139325565
CID 139325565
CID 139325592
CID 139325592
CID 113752207
CID 113752207
CID 169970729
CID 169970729

Frequently Asked Questions

What is the IUPAC name of N-(1,1-difluoroethyl)-2,2,3,3-tetramethylpentane-1-sulfonamide?
The IUPAC name of N-(1,1-difluoroethyl)-2,2,3,3-tetramethylpentane-1-sulfonamide (CID 139325517) is N-(1,1-difluoroethyl)-2,2,3,3-tetramethylpentane-1-sulfonamide.
What is the SMILES notation for N-(1,1-difluoroethyl)-2,2,3,3-tetramethylpentane-1-sulfonamide?
The canonical SMILES for N-(1,1-difluoroethyl)-2,2,3,3-tetramethylpentane-1-sulfonamide is CCC(C)(C)C(C)(C)CS(=O)(=O)NC(C)(F)F.
What is the InChIKey of N-(1,1-difluoroethyl)-2,2,3,3-tetramethylpentane-1-sulfonamide?
The InChIKey is QQFKYBFXSVEMDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23F2NO2S/c1-7-9(2,3)10(4,5)8-17(15,16)14-11(6,12)13/h14H,7-8H2,1-6H3.
What are the key properties of N-(1,1-difluoroethyl)-2,2,3,3-tetramethylpentane-1-sulfonamide?
N-(1,1-difluoroethyl)-2,2,3,3-tetramethylpentane-1-sulfonamide has a molecular weight of 271.37 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-difluoroethyl)-2,2,3,3-tetramethylpentane-1-sulfonamide is sourced from PubChem (CID 139325517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).