N-(2-adamantyl)-2-fluorobenzenesulfonamide

C16H20FNO2S — CID 60652258

IUPACN-(2-adamantyl)-2-fluorobenzenesulfonamide
SMILESO=S(=O)(NC1C2CC3CC(C2)CC1C3)c1ccccc1F
InChIInChI=1S/C16H20FNO2S/c17-14-3-1-2-4-15(14)21(19,20)18-16-12-6-10-5-11(8-12)9-13(16)7-10/h1-4,10-13,16,18H,5-9H2
InChIKeyPUYLCDMQDUVFQG-UHFFFAOYSA-N
MW309.41 g/mol
LogP2.93
Rot. Bonds3

About N-(2-adamantyl)-2-fluorobenzenesulfonamide

N-(2-adamantyl)-2-fluorobenzenesulfonamide (PubChem CID 60652258) has the molecular formula C16H20FNO2S and a molecular weight of 309.41 g/mol. Its IUPAC name is N-(2-adamantyl)-2-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-adamantyl)-2-fluorobenzenesulfonamide
PubChem CID60652258
Molecular FormulaC16H20FNO2S
Molecular Weight309.41 g/mol
Exact Mass309.12
IUPAC NameN-(2-adamantyl)-2-fluorobenzenesulfonamide
SMILESO=S(=O)(NC1C2CC3CC(C2)CC1C3)c1ccccc1F
InChIInChI=1S/C16H20FNO2S/c17-14-3-1-2-4-15(14)21(19,20)18-16-12-6-10-5-11(8-12)9-13(16)7-10/h1-4,10-13,16,18H,5-9H2
InChIKeyPUYLCDMQDUVFQG-UHFFFAOYSA-N
XLogP2.93
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-2-fluorobenzenesulfonamide?
The IUPAC name of N-(2-adamantyl)-2-fluorobenzenesulfonamide (CID 60652258) is N-(2-adamantyl)-2-fluorobenzenesulfonamide.
What is the SMILES notation for N-(2-adamantyl)-2-fluorobenzenesulfonamide?
The canonical SMILES for N-(2-adamantyl)-2-fluorobenzenesulfonamide is O=S(=O)(NC1C2CC3CC(C2)CC1C3)c1ccccc1F.
What is the InChIKey of N-(2-adamantyl)-2-fluorobenzenesulfonamide?
The InChIKey is PUYLCDMQDUVFQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO2S/c17-14-3-1-2-4-15(14)21(19,20)18-16-12-6-10-5-11(8-12)9-13(16)7-10/h1-4,10-13,16,18H,5-9H2.
What are the key properties of N-(2-adamantyl)-2-fluorobenzenesulfonamide?
N-(2-adamantyl)-2-fluorobenzenesulfonamide has a molecular weight of 309.41 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-2-fluorobenzenesulfonamide is sourced from PubChem (CID 60652258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).