Chemical ID: 7743631

C=CCNC(=O)C(=O)NCC(c1cccs1)S(=O)(=O)c2ccc(cc2)Cl
Chemical ID:
7743631
Name [?]:
None
SMILES [?]:
C=CCNC(=O)C(=O)NCC(c1cccs1)S(=O)(=O)c2ccc(cc2)Cl
InChi [?]:
InChI=1/C17H17ClN2O4S2/c1-2-9-19-16(21)17(22)20-11-15(14-4-3-10-25-14)26(23,24)13-7-5-12(18)6-8-13/h2-8,10,15H,1,9,11H2,(H,19,21)(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,2,14,13,22,24,21,25,3,15,10,23,20,12,11,5,7,26,4,9,6,8,18,19,16,17/E:(5,6)(7,8)(23,24)/CRV:26.6/rA:26cCCCNCOCONCCCCCCSSOOCCCCCCCl/rB:d1;s2;s3;s4;d5;s5;d7;s7;s9;s10;s11;d12;s13;d14;s12s15;s11;d17;d17;s17;s20;d21;s22;d23;d20s24;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H17ClN2O4S2
All Atoms:43
Heavy Atoms:26
Chiral Atoms:None
ZAP Information [?]
Total:11.5194
Area:612.014
Solvation:-3.78098
Coulombic:-53.3157
Bond Count [?]
All:27
Single:17
Double:10
Rotors:10
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:1.84
LogP (Chemaxon):None

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue