N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]benzenesulfonamide

C15H21NO2S — CID 4584936

IUPACN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]benzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccccc1)C1CC2CCC1C2
InChIInChI=1S/C15H21NO2S/c1-11(15-10-12-7-8-13(15)9-12)16-19(17,18)14-5-3-2-4-6-14/h2-6,11-13,15-16H,7-10H2,1H3
InChIKeyLLOKTZVCQBGMFV-UHFFFAOYSA-N
MW279.40 g/mol
LogP2.79
Rot. Bonds4

About N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]benzenesulfonamide

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]benzenesulfonamide (PubChem CID 4584936) has the molecular formula C15H21NO2S and a molecular weight of 279.40 g/mol. Its IUPAC name is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]benzenesulfonamide
PubChem CID4584936
Molecular FormulaC15H21NO2S
Molecular Weight279.40 g/mol
Exact Mass279.13
IUPAC NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]benzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccccc1)C1CC2CCC1C2
InChIInChI=1S/C15H21NO2S/c1-11(15-10-12-7-8-13(15)9-12)16-19(17,18)14-5-3-2-4-6-14/h2-6,11-13,15-16H,7-10H2,1H3
InChIKeyLLOKTZVCQBGMFV-UHFFFAOYSA-N
XLogP2.79
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
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-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]benzenesulfonamide?
The IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]benzenesulfonamide (CID 4584936) is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]benzenesulfonamide.
What is the SMILES notation for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]benzenesulfonamide?
The canonical SMILES for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]benzenesulfonamide is CC(NS(=O)(=O)c1ccccc1)C1CC2CCC1C2.
What is the InChIKey of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]benzenesulfonamide?
The InChIKey is LLOKTZVCQBGMFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2S/c1-11(15-10-12-7-8-13(15)9-12)16-19(17,18)14-5-3-2-4-6-14/h2-6,11-13,15-16H,7-10H2,1H3.
What are the key properties of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]benzenesulfonamide?
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]benzenesulfonamide has a molecular weight of 279.40 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 4584936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).