N-(2-adamantyl)benzenesulfonamide

C16H21NO2S — CID 5210992

IUPACN-(2-adamantyl)benzenesulfonamide
SMILESO=S(=O)(NC1C2CC3CC(C2)CC1C3)c1ccccc1
InChIInChI=1S/C16H21NO2S/c18-20(19,15-4-2-1-3-5-15)17-16-13-7-11-6-12(9-13)10-14(16)8-11/h1-5,11-14,16-17H,6-10H2
InChIKeyWHRWSFFVIWORSH-UHFFFAOYSA-N
MW291.42 g/mol
LogP2.79
Rot. Bonds3

About N-(2-adamantyl)benzenesulfonamide

N-(2-adamantyl)benzenesulfonamide (PubChem CID 5210992) has the molecular formula C16H21NO2S and a molecular weight of 291.42 g/mol. Its IUPAC name is N-(2-adamantyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-adamantyl)benzenesulfonamide
PubChem CID5210992
Molecular FormulaC16H21NO2S
Molecular Weight291.42 g/mol
Exact Mass291.13
IUPAC NameN-(2-adamantyl)benzenesulfonamide
SMILESO=S(=O)(NC1C2CC3CC(C2)CC1C3)c1ccccc1
InChIInChI=1S/C16H21NO2S/c18-20(19,15-4-2-1-3-5-15)17-16-13-7-11-6-12(9-13)10-14(16)8-11/h1-5,11-14,16-17H,6-10H2
InChIKeyWHRWSFFVIWORSH-UHFFFAOYSA-N
XLogP2.79
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)benzenesulfonamide?
The IUPAC name of N-(2-adamantyl)benzenesulfonamide (CID 5210992) is N-(2-adamantyl)benzenesulfonamide.
What is the SMILES notation for N-(2-adamantyl)benzenesulfonamide?
The canonical SMILES for N-(2-adamantyl)benzenesulfonamide is O=S(=O)(NC1C2CC3CC(C2)CC1C3)c1ccccc1.
What is the InChIKey of N-(2-adamantyl)benzenesulfonamide?
The InChIKey is WHRWSFFVIWORSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2S/c18-20(19,15-4-2-1-3-5-15)17-16-13-7-11-6-12(9-13)10-14(16)8-11/h1-5,11-14,16-17H,6-10H2.
What are the key properties of N-(2-adamantyl)benzenesulfonamide?
N-(2-adamantyl)benzenesulfonamide has a molecular weight of 291.42 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)benzenesulfonamide is sourced from PubChem (CID 5210992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).