N-(1-adamantyl)-1-phenylmethanesulfonamide

C17H23NO2S — CID 19681556

IUPACN-(1-adamantyl)-1-phenylmethanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H23NO2S/c19-21(20,12-13-4-2-1-3-5-13)18-17-9-14-6-15(10-17)8-16(7-14)11-17/h1-5,14-16,18H,6-12H2
InChIKeyFDZCKYGKUSFWCD-UHFFFAOYSA-N
MW305.44 g/mol
LogP3.07
Rot. Bonds4

About N-(1-adamantyl)-1-phenylmethanesulfonamide

N-(1-adamantyl)-1-phenylmethanesulfonamide (PubChem CID 19681556) has the molecular formula C17H23NO2S and a molecular weight of 305.44 g/mol. Its IUPAC name is N-(1-adamantyl)-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-(1-adamantyl)-1-phenylmethanesulfonamide
PubChem CID19681556
Molecular FormulaC17H23NO2S
Molecular Weight305.44 g/mol
Exact Mass305.14
IUPAC NameN-(1-adamantyl)-1-phenylmethanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H23NO2S/c19-21(20,12-13-4-2-1-3-5-13)18-17-9-14-6-15(10-17)8-16(7-14)11-17/h1-5,14-16,18H,6-12H2
InChIKeyFDZCKYGKUSFWCD-UHFFFAOYSA-N
XLogP3.07
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.44
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-1-phenylmethanesulfonamide?
The IUPAC name of N-(1-adamantyl)-1-phenylmethanesulfonamide (CID 19681556) is N-(1-adamantyl)-1-phenylmethanesulfonamide.
What is the SMILES notation for N-(1-adamantyl)-1-phenylmethanesulfonamide?
The canonical SMILES for N-(1-adamantyl)-1-phenylmethanesulfonamide is O=S(=O)(Cc1ccccc1)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantyl)-1-phenylmethanesulfonamide?
The InChIKey is FDZCKYGKUSFWCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2S/c19-21(20,12-13-4-2-1-3-5-13)18-17-9-14-6-15(10-17)8-16(7-14)11-17/h1-5,14-16,18H,6-12H2.
What are the key properties of N-(1-adamantyl)-1-phenylmethanesulfonamide?
N-(1-adamantyl)-1-phenylmethanesulfonamide has a molecular weight of 305.44 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-1-phenylmethanesulfonamide is sourced from PubChem (CID 19681556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).