N-(2-bicyclo[2.2.1]heptanyl)-2,5-dichlorobenzenesulfonamide

C13H15Cl2NO2S — CID 2930556

IUPACN-(2-bicyclo[2.2.1]heptanyl)-2,5-dichlorobenzenesulfonamide
SMILESO=S(=O)(NC1CC2CCC1C2)c1cc(Cl)ccc1Cl
InChIInChI=1S/C13H15Cl2NO2S/c14-10-3-4-11(15)13(7-10)19(17,18)16-12-6-8-1-2-9(12)5-8/h3-4,7-9,12,16H,1-2,5-6H2
InChIKeyNHZWBGHCVRQSOL-UHFFFAOYSA-N
MW320.24 g/mol
LogP3.46
Rot. Bonds3

About N-(2-bicyclo[2.2.1]heptanyl)-2,5-dichlorobenzenesulfonamide

N-(2-bicyclo[2.2.1]heptanyl)-2,5-dichlorobenzenesulfonamide (PubChem CID 2930556) has the molecular formula C13H15Cl2NO2S and a molecular weight of 320.24 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanyl)-2,5-dichlorobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanyl)-2,5-dichlorobenzenesulfonamide
PubChem CID2930556
Molecular FormulaC13H15Cl2NO2S
Molecular Weight320.24 g/mol
Exact Mass319.02
IUPAC NameN-(2-bicyclo[2.2.1]heptanyl)-2,5-dichlorobenzenesulfonamide
SMILESO=S(=O)(NC1CC2CCC1C2)c1cc(Cl)ccc1Cl
InChIInChI=1S/C13H15Cl2NO2S/c14-10-3-4-11(15)13(7-10)19(17,18)16-12-6-8-1-2-9(12)5-8/h3-4,7-9,12,16H,1-2,5-6H2
InChIKeyNHZWBGHCVRQSOL-UHFFFAOYSA-N
XLogP3.46
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.24
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-2,5-dichlorobenzenesulfonamide?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-2,5-dichlorobenzenesulfonamide (CID 2930556) is N-(2-bicyclo[2.2.1]heptanyl)-2,5-dichlorobenzenesulfonamide.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanyl)-2,5-dichlorobenzenesulfonamide?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanyl)-2,5-dichlorobenzenesulfonamide is O=S(=O)(NC1CC2CCC1C2)c1cc(Cl)ccc1Cl.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanyl)-2,5-dichlorobenzenesulfonamide?
The InChIKey is NHZWBGHCVRQSOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2NO2S/c14-10-3-4-11(15)13(7-10)19(17,18)16-12-6-8-1-2-9(12)5-8/h3-4,7-9,12,16H,1-2,5-6H2.
What are the key properties of N-(2-bicyclo[2.2.1]heptanyl)-2,5-dichlorobenzenesulfonamide?
N-(2-bicyclo[2.2.1]heptanyl)-2,5-dichlorobenzenesulfonamide has a molecular weight of 320.24 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanyl)-2,5-dichlorobenzenesulfonamide is sourced from PubChem (CID 2930556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).