N-(1-adamantyl)-2-phenylethenesulfonamide

C18H23NO2S — CID 2909577

IUPACN-(1-adamantyl)-2-phenylethenesulfonamide
SMILESO=S(=O)(C=Cc1ccccc1)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H23NO2S/c20-22(21,7-6-14-4-2-1-3-5-14)19-18-11-15-8-16(12-18)10-17(9-15)13-18/h1-7,15-17,19H,8-13H2
InChIKeyXOPNXCMEDPFZAW-UHFFFAOYSA-N
MW317.45 g/mol
LogP3.55
Rot. Bonds4

About N-(1-adamantyl)-2-phenylethenesulfonamide

N-(1-adamantyl)-2-phenylethenesulfonamide (PubChem CID 2909577) has the molecular formula C18H23NO2S and a molecular weight of 317.45 g/mol. Its IUPAC name is N-(1-adamantyl)-2-phenylethenesulfonamide.

Molecular Properties

Compound NameN-(1-adamantyl)-2-phenylethenesulfonamide
PubChem CID2909577
Molecular FormulaC18H23NO2S
Molecular Weight317.45 g/mol
Exact Mass317.14
IUPAC NameN-(1-adamantyl)-2-phenylethenesulfonamide
SMILESO=S(=O)(C=Cc1ccccc1)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H23NO2S/c20-22(21,7-6-14-4-2-1-3-5-14)19-18-11-15-8-16(12-18)10-17(9-15)13-18/h1-7,15-17,19H,8-13H2
InChIKeyXOPNXCMEDPFZAW-UHFFFAOYSA-N
XLogP3.55
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.45
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-2-phenylethenesulfonamide?
The IUPAC name of N-(1-adamantyl)-2-phenylethenesulfonamide (CID 2909577) is N-(1-adamantyl)-2-phenylethenesulfonamide.
What is the SMILES notation for N-(1-adamantyl)-2-phenylethenesulfonamide?
The canonical SMILES for N-(1-adamantyl)-2-phenylethenesulfonamide is O=S(=O)(C=Cc1ccccc1)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantyl)-2-phenylethenesulfonamide?
The InChIKey is XOPNXCMEDPFZAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2S/c20-22(21,7-6-14-4-2-1-3-5-14)19-18-11-15-8-16(12-18)10-17(9-15)13-18/h1-7,15-17,19H,8-13H2.
What are the key properties of N-(1-adamantyl)-2-phenylethenesulfonamide?
N-(1-adamantyl)-2-phenylethenesulfonamide has a molecular weight of 317.45 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-2-phenylethenesulfonamide is sourced from PubChem (CID 2909577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).