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

C13H17NO2S — CID 4695267

IUPACN-(2-bicyclo[2.2.1]heptanyl)benzenesulfonamide
SMILESO=S(=O)(NC1CC2CCC1C2)c1ccccc1
InChIInChI=1S/C13H17NO2S/c15-17(16,12-4-2-1-3-5-12)14-13-9-10-6-7-11(13)8-10/h1-5,10-11,13-14H,6-9H2
InChIKeyWRYRNMGIJJDXSS-UHFFFAOYSA-N
MW251.35 g/mol
LogP2.15
Rot. Bonds3

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

N-(2-bicyclo[2.2.1]heptanyl)benzenesulfonamide (PubChem CID 4695267) has the molecular formula C13H17NO2S and a molecular weight of 251.35 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanyl)benzenesulfonamide
PubChem CID4695267
Molecular FormulaC13H17NO2S
Molecular Weight251.35 g/mol
Exact Mass251.10
IUPAC NameN-(2-bicyclo[2.2.1]heptanyl)benzenesulfonamide
SMILESO=S(=O)(NC1CC2CCC1C2)c1ccccc1
InChIInChI=1S/C13H17NO2S/c15-17(16,12-4-2-1-3-5-12)14-13-9-10-6-7-11(13)8-10/h1-5,10-11,13-14H,6-9H2
InChIKeyWRYRNMGIJJDXSS-UHFFFAOYSA-N
XLogP2.15
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 52.15
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)benzenesulfonamide?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)benzenesulfonamide (CID 4695267) is N-(2-bicyclo[2.2.1]heptanyl)benzenesulfonamide.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanyl)benzenesulfonamide?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanyl)benzenesulfonamide is O=S(=O)(NC1CC2CCC1C2)c1ccccc1.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanyl)benzenesulfonamide?
The InChIKey is WRYRNMGIJJDXSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2S/c15-17(16,12-4-2-1-3-5-12)14-13-9-10-6-7-11(13)8-10/h1-5,10-11,13-14H,6-9H2.
What are the key properties of N-(2-bicyclo[2.2.1]heptanyl)benzenesulfonamide?
N-(2-bicyclo[2.2.1]heptanyl)benzenesulfonamide has a molecular weight of 251.35 g/mol, XLogP of 2.15, 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)benzenesulfonamide is sourced from PubChem (CID 4695267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).