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

C15H20ClNO2S — CID 4834852

IUPACN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-chlorobenzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccccc1Cl)C1CC2CCC1C2
InChIInChI=1S/C15H20ClNO2S/c1-10(13-9-11-6-7-12(13)8-11)17-20(18,19)15-5-3-2-4-14(15)16/h2-5,10-13,17H,6-9H2,1H3
InChIKeyPWLUYWICKNOGTH-UHFFFAOYSA-N
MW313.85 g/mol
LogP3.44
Rot. Bonds4

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

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-chlorobenzenesulfonamide (PubChem CID 4834852) has the molecular formula C15H20ClNO2S and a molecular weight of 313.85 g/mol. Its IUPAC name is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-chlorobenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-chlorobenzenesulfonamide
PubChem CID4834852
Molecular FormulaC15H20ClNO2S
Molecular Weight313.85 g/mol
Exact Mass313.09
IUPAC NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-chlorobenzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccccc1Cl)C1CC2CCC1C2
InChIInChI=1S/C15H20ClNO2S/c1-10(13-9-11-6-7-12(13)8-11)17-20(18,19)15-5-3-2-4-14(15)16/h2-5,10-13,17H,6-9H2,1H3
InChIKeyPWLUYWICKNOGTH-UHFFFAOYSA-N
XLogP3.44
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.85
LogP ≤ 53.44
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]-2-chlorobenzenesulfonamide?
The IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-chlorobenzenesulfonamide (CID 4834852) is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-chlorobenzenesulfonamide.
What is the SMILES notation for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-chlorobenzenesulfonamide?
The canonical SMILES for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-chlorobenzenesulfonamide is CC(NS(=O)(=O)c1ccccc1Cl)C1CC2CCC1C2.
What is the InChIKey of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-chlorobenzenesulfonamide?
The InChIKey is PWLUYWICKNOGTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO2S/c1-10(13-9-11-6-7-12(13)8-11)17-20(18,19)15-5-3-2-4-14(15)16/h2-5,10-13,17H,6-9H2,1H3.
What are the key properties of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-chlorobenzenesulfonamide?
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-chlorobenzenesulfonamide has a molecular weight of 313.85 g/mol, XLogP of 3.44, 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]-2-chlorobenzenesulfonamide is sourced from PubChem (CID 4834852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).