N-(2-adamantylmethyl)-1,1-difluoromethanesulfonamide

C12H19F2NO2S — CID 58436034

IUPACN-(2-adamantylmethyl)-1,1-difluoromethanesulfonamide
SMILESO=S(=O)(NCC1C2CC3CC(C2)CC1C3)C(F)F
InChIInChI=1S/C12H19F2NO2S/c13-12(14)18(16,17)15-6-11-9-2-7-1-8(4-9)5-10(11)3-7/h7-12,15H,1-6H2
InChIKeyCYQGVJRVQLJHGM-UHFFFAOYSA-N
MW279.35 g/mol
LogP2.20
Rot. Bonds4

About N-(2-adamantylmethyl)-1,1-difluoromethanesulfonamide

N-(2-adamantylmethyl)-1,1-difluoromethanesulfonamide (PubChem CID 58436034) has the molecular formula C12H19F2NO2S and a molecular weight of 279.35 g/mol. Its IUPAC name is N-(2-adamantylmethyl)-1,1-difluoromethanesulfonamide.

Molecular Properties

Compound NameN-(2-adamantylmethyl)-1,1-difluoromethanesulfonamide
PubChem CID58436034
Molecular FormulaC12H19F2NO2S
Molecular Weight279.35 g/mol
Exact Mass279.11
IUPAC NameN-(2-adamantylmethyl)-1,1-difluoromethanesulfonamide
SMILESO=S(=O)(NCC1C2CC3CC(C2)CC1C3)C(F)F
InChIInChI=1S/C12H19F2NO2S/c13-12(14)18(16,17)15-6-11-9-2-7-1-8(4-9)5-10(11)3-7/h7-12,15H,1-6H2
InChIKeyCYQGVJRVQLJHGM-UHFFFAOYSA-N
XLogP2.20
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-adamantylmethyl)-1,1-difluoromethanesulfonamide?
The IUPAC name of N-(2-adamantylmethyl)-1,1-difluoromethanesulfonamide (CID 58436034) is N-(2-adamantylmethyl)-1,1-difluoromethanesulfonamide.
What is the SMILES notation for N-(2-adamantylmethyl)-1,1-difluoromethanesulfonamide?
The canonical SMILES for N-(2-adamantylmethyl)-1,1-difluoromethanesulfonamide is O=S(=O)(NCC1C2CC3CC(C2)CC1C3)C(F)F.
What is the InChIKey of N-(2-adamantylmethyl)-1,1-difluoromethanesulfonamide?
The InChIKey is CYQGVJRVQLJHGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F2NO2S/c13-12(14)18(16,17)15-6-11-9-2-7-1-8(4-9)5-10(11)3-7/h7-12,15H,1-6H2.
What are the key properties of N-(2-adamantylmethyl)-1,1-difluoromethanesulfonamide?
N-(2-adamantylmethyl)-1,1-difluoromethanesulfonamide has a molecular weight of 279.35 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantylmethyl)-1,1-difluoromethanesulfonamide is sourced from PubChem (CID 58436034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).