N-(2-adamantylmethyl)-1-phenylmethanesulfonamide

C18H25NO2S — CID 134195096

IUPACN-(2-adamantylmethyl)-1-phenylmethanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)NCC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C18H25NO2S/c20-22(21,12-13-4-2-1-3-5-13)19-11-18-16-7-14-6-15(9-16)10-17(18)8-14/h1-5,14-19H,6-12H2
InChIKeyOXDHYZBUKDNFTP-UHFFFAOYSA-N
MW319.47 g/mol
LogP3.18
Rot. Bonds5

About N-(2-adamantylmethyl)-1-phenylmethanesulfonamide

N-(2-adamantylmethyl)-1-phenylmethanesulfonamide (PubChem CID 134195096) has the molecular formula C18H25NO2S and a molecular weight of 319.47 g/mol. Its IUPAC name is N-(2-adamantylmethyl)-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-(2-adamantylmethyl)-1-phenylmethanesulfonamide
PubChem CID134195096
Molecular FormulaC18H25NO2S
Molecular Weight319.47 g/mol
Exact Mass319.16
IUPAC NameN-(2-adamantylmethyl)-1-phenylmethanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)NCC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C18H25NO2S/c20-22(21,12-13-4-2-1-3-5-13)19-11-18-16-7-14-6-15(9-16)10-17(18)8-14/h1-5,14-19H,6-12H2
InChIKeyOXDHYZBUKDNFTP-UHFFFAOYSA-N
XLogP3.18
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.47
LogP ≤ 53.18
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-phenylmethanesulfonamide?
The IUPAC name of N-(2-adamantylmethyl)-1-phenylmethanesulfonamide (CID 134195096) is N-(2-adamantylmethyl)-1-phenylmethanesulfonamide.
What is the SMILES notation for N-(2-adamantylmethyl)-1-phenylmethanesulfonamide?
The canonical SMILES for N-(2-adamantylmethyl)-1-phenylmethanesulfonamide is O=S(=O)(Cc1ccccc1)NCC1C2CC3CC(C2)CC1C3.
What is the InChIKey of N-(2-adamantylmethyl)-1-phenylmethanesulfonamide?
The InChIKey is OXDHYZBUKDNFTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2S/c20-22(21,12-13-4-2-1-3-5-13)19-11-18-16-7-14-6-15(9-16)10-17(18)8-14/h1-5,14-19H,6-12H2.
What are the key properties of N-(2-adamantylmethyl)-1-phenylmethanesulfonamide?
N-(2-adamantylmethyl)-1-phenylmethanesulfonamide has a molecular weight of 319.47 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantylmethyl)-1-phenylmethanesulfonamide is sourced from PubChem (CID 134195096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).