Chemical ID: 5678449

C=CCN(c1ccc(cc1)Cl)S(=O)(=O)c2ccc(c(c2)C(=O)OCC#N)Cl
Chemical ID:
5678449
Name [?]:
cyanomethyl 5-[allyl-(4-chlorophenyl)-sulfamoyl]-2-chloro-benzoate
SMILES [?]:
C=CCN(c1ccc(cc1)Cl)S(=O)(=O)c2ccc(c(c2)C(=O)OCC#N)Cl
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C18H14Cl2N2O4S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:1
ZAP Information [?]
Total:11.2248
Area:606.499
Solvation:-3.93764
Coulombic:-31.8974
Bond Count [?]
All:28
Single:17
Double:10
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:425.286
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:4.57
LogP (Chemaxon):4.06

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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