4-(2-bicyclo[2.2.1]heptanyloxy)-3-chlorobenzenesulfonamide

C13H16ClNO3S — CID 114245701

IUPAC4-(2-bicyclo[2.2.1]heptanyloxy)-3-chlorobenzenesulfonamide
SMILESNS(=O)(=O)c1ccc(OC2CC3CCC2C3)c(Cl)c1
InChIInChI=1S/C13H16ClNO3S/c14-11-7-10(19(15,16)17)3-4-12(11)18-13-6-8-1-2-9(13)5-8/h3-4,7-9,13H,1-2,5-6H2,(H2,15,16,17)
InChIKeyLWUAVMBROPUZHD-UHFFFAOYSA-N
MW301.79 g/mol
LogP2.55
Rot. Bonds3

About 4-(2-bicyclo[2.2.1]heptanyloxy)-3-chlorobenzenesulfonamide

4-(2-bicyclo[2.2.1]heptanyloxy)-3-chlorobenzenesulfonamide (PubChem CID 114245701) has the molecular formula C13H16ClNO3S and a molecular weight of 301.79 g/mol. Its IUPAC name is 4-(2-bicyclo[2.2.1]heptanyloxy)-3-chlorobenzenesulfonamide.

Molecular Properties

Compound Name4-(2-bicyclo[2.2.1]heptanyloxy)-3-chlorobenzenesulfonamide
PubChem CID114245701
Molecular FormulaC13H16ClNO3S
Molecular Weight301.79 g/mol
Exact Mass301.05
IUPAC Name4-(2-bicyclo[2.2.1]heptanyloxy)-3-chlorobenzenesulfonamide
SMILESNS(=O)(=O)c1ccc(OC2CC3CCC2C3)c(Cl)c1
InChIInChI=1S/C13H16ClNO3S/c14-11-7-10(19(15,16)17)3-4-12(11)18-13-6-8-1-2-9(13)5-8/h3-4,7-9,13H,1-2,5-6H2,(H2,15,16,17)
InChIKeyLWUAVMBROPUZHD-UHFFFAOYSA-N
XLogP2.55
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.79
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-bicyclo[2.2.1]heptanyloxy)-3-chlorobenzenesulfonamide?
The IUPAC name of 4-(2-bicyclo[2.2.1]heptanyloxy)-3-chlorobenzenesulfonamide (CID 114245701) is 4-(2-bicyclo[2.2.1]heptanyloxy)-3-chlorobenzenesulfonamide.
What is the SMILES notation for 4-(2-bicyclo[2.2.1]heptanyloxy)-3-chlorobenzenesulfonamide?
The canonical SMILES for 4-(2-bicyclo[2.2.1]heptanyloxy)-3-chlorobenzenesulfonamide is NS(=O)(=O)c1ccc(OC2CC3CCC2C3)c(Cl)c1.
What is the InChIKey of 4-(2-bicyclo[2.2.1]heptanyloxy)-3-chlorobenzenesulfonamide?
The InChIKey is LWUAVMBROPUZHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO3S/c14-11-7-10(19(15,16)17)3-4-12(11)18-13-6-8-1-2-9(13)5-8/h3-4,7-9,13H,1-2,5-6H2,(H2,15,16,17).
What are the key properties of 4-(2-bicyclo[2.2.1]heptanyloxy)-3-chlorobenzenesulfonamide?
4-(2-bicyclo[2.2.1]heptanyloxy)-3-chlorobenzenesulfonamide has a molecular weight of 301.79 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bicyclo[2.2.1]heptanyloxy)-3-chlorobenzenesulfonamide is sourced from PubChem (CID 114245701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).