Molecule

ID:39625

General Information
Structure
Molecular Formula
C₁₅H₁₄ClNO₄S
Molecular Mass
339.79396
Exact Mass
339.03320661
Charge
0
InChI
InChI=1S/C15H14ClNO4S/c16-12-8-4-5-9-14(12)22(20,21)17-13(15(18)19)10-11-6-2-1-3-7-11/h1-9,13,17H,10H2,(H,18,19)
InChIKey
YNOMZLGEMFKAGP-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(NS(=O)(=O)c1ccccc1Cl)Cc1ccccc1
Isomeric Smiles
S(=O)(=O)(c1c(Cl)cccc1)NC(C(=O)O)Cc1ccccc1
Calculated Properties
JChem
Acid pKa
3.235457
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
0.86605114
LogD (pH = 7.4)
-0.33689606
Log P
3.1100712
Molar Refractivity
83.1149
Polarizability
33.19089
Polar Surface Area
83.47
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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