N-(2-bicyclo[2.2.1]heptanyl)-4-bromobenzenesulfonamide

C13H16BrNO2S — CID 2892422

IUPACN-(2-bicyclo[2.2.1]heptanyl)-4-bromobenzenesulfonamide
SMILESO=S(=O)(NC1CC2CCC1C2)c1ccc(Br)cc1
InChIInChI=1S/C13H16BrNO2S/c14-11-3-5-12(6-4-11)18(16,17)15-13-8-9-1-2-10(13)7-9/h3-6,9-10,13,15H,1-2,7-8H2
InChIKeyVCZBEKBVLNNNSH-UHFFFAOYSA-N
MW330.25 g/mol
LogP2.92
Rot. Bonds3

About N-(2-bicyclo[2.2.1]heptanyl)-4-bromobenzenesulfonamide

N-(2-bicyclo[2.2.1]heptanyl)-4-bromobenzenesulfonamide (PubChem CID 2892422) has the molecular formula C13H16BrNO2S and a molecular weight of 330.25 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanyl)-4-bromobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanyl)-4-bromobenzenesulfonamide
PubChem CID2892422
Molecular FormulaC13H16BrNO2S
Molecular Weight330.25 g/mol
Exact Mass329.01
IUPAC NameN-(2-bicyclo[2.2.1]heptanyl)-4-bromobenzenesulfonamide
SMILESO=S(=O)(NC1CC2CCC1C2)c1ccc(Br)cc1
InChIInChI=1S/C13H16BrNO2S/c14-11-3-5-12(6-4-11)18(16,17)15-13-8-9-1-2-10(13)7-9/h3-6,9-10,13,15H,1-2,7-8H2
InChIKeyVCZBEKBVLNNNSH-UHFFFAOYSA-N
XLogP2.92
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.25
LogP ≤ 52.92
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)-4-bromobenzenesulfonamide?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-4-bromobenzenesulfonamide (CID 2892422) is N-(2-bicyclo[2.2.1]heptanyl)-4-bromobenzenesulfonamide.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanyl)-4-bromobenzenesulfonamide?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanyl)-4-bromobenzenesulfonamide is O=S(=O)(NC1CC2CCC1C2)c1ccc(Br)cc1.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanyl)-4-bromobenzenesulfonamide?
The InChIKey is VCZBEKBVLNNNSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNO2S/c14-11-3-5-12(6-4-11)18(16,17)15-13-8-9-1-2-10(13)7-9/h3-6,9-10,13,15H,1-2,7-8H2.
What are the key properties of N-(2-bicyclo[2.2.1]heptanyl)-4-bromobenzenesulfonamide?
N-(2-bicyclo[2.2.1]heptanyl)-4-bromobenzenesulfonamide has a molecular weight of 330.25 g/mol, XLogP of 2.92, 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)-4-bromobenzenesulfonamide is sourced from PubChem (CID 2892422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).