N-(1-adamantyl)-2-fluoropropane-2-sulfonamide

C13H22FNO2S — CID 123585652

IUPACN-(1-adamantyl)-2-fluoropropane-2-sulfonamide
SMILESCC(C)(F)S(=O)(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C13H22FNO2S/c1-12(2,14)18(16,17)15-13-6-9-3-10(7-13)5-11(4-9)8-13/h9-11,15H,3-8H2,1-2H3
InChIKeyKLDCYGKKIXRIPJ-UHFFFAOYSA-N
MW275.39 g/mol
LogP2.58
Rot. Bonds3

About N-(1-adamantyl)-2-fluoropropane-2-sulfonamide

N-(1-adamantyl)-2-fluoropropane-2-sulfonamide (PubChem CID 123585652) has the molecular formula C13H22FNO2S and a molecular weight of 275.39 g/mol. Its IUPAC name is N-(1-adamantyl)-2-fluoropropane-2-sulfonamide.

Molecular Properties

Compound NameN-(1-adamantyl)-2-fluoropropane-2-sulfonamide
PubChem CID123585652
Molecular FormulaC13H22FNO2S
Molecular Weight275.39 g/mol
Exact Mass275.14
IUPAC NameN-(1-adamantyl)-2-fluoropropane-2-sulfonamide
SMILESCC(C)(F)S(=O)(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C13H22FNO2S/c1-12(2,14)18(16,17)15-13-6-9-3-10(7-13)5-11(4-9)8-13/h9-11,15H,3-8H2,1-2H3
InChIKeyKLDCYGKKIXRIPJ-UHFFFAOYSA-N
XLogP2.58
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(1-adamantyl)-2-fluoropropane-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

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-2-fluoropropane-2-sulfonamide?
The IUPAC name of N-(1-adamantyl)-2-fluoropropane-2-sulfonamide (CID 123585652) is N-(1-adamantyl)-2-fluoropropane-2-sulfonamide.
What is the SMILES notation for N-(1-adamantyl)-2-fluoropropane-2-sulfonamide?
The canonical SMILES for N-(1-adamantyl)-2-fluoropropane-2-sulfonamide is CC(C)(F)S(=O)(=O)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantyl)-2-fluoropropane-2-sulfonamide?
The InChIKey is KLDCYGKKIXRIPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22FNO2S/c1-12(2,14)18(16,17)15-13-6-9-3-10(7-13)5-11(4-9)8-13/h9-11,15H,3-8H2,1-2H3.
What are the key properties of N-(1-adamantyl)-2-fluoropropane-2-sulfonamide?
N-(1-adamantyl)-2-fluoropropane-2-sulfonamide has a molecular weight of 275.39 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-2-fluoropropane-2-sulfonamide is sourced from PubChem (CID 123585652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).