Chemical ID: 5715919

c1cc(ccc1N2C(=O)C3C4CC(C3C2=O)C=C4)S(=O)(=O)N
Chemical ID:
5715919
Name [?]:
None
SMILES [?]:
c1cc(ccc1N2C(=O)C3C4CC(C3C2=O)C=C4)S(=O)(=O)N
InChi [?]:
InChI=1/C15H14N2O4S/c16-22(20,21)11-5-3-10(4-6-11)17-14(18)12-8-1-2-9(7-8)13(12)15(17)19/h1-6,8-9,12-13H,7H2,(H2,16,20,21)
InChi Info:
AuxInfo=1/1/N:17,18,1,5,2,4,12,13,11,6,3,14,10,15,8,22,7,16,9,20,21,19/E:(1,2)(3,4)(5,6)(8,9)(12,13)(14,15)(18,19)(20,21)/CRV:22.6/rA:22cCCCCCCNCOCCCCCCOCCSOON/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s8;s10;s11;s12;s10s13;s7s14;d15;s13;s11d17;s3;d19;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H14N2O4S
All Atoms:22
Heavy Atoms:22
Chiral Atoms:4
ZAP Information [?]
Total:7.96378
Area:472.5
Solvation:-3.84871
Coulombic:-39.7156
Bond Count [?]
All:25
Single:17
Double:8
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:318.349
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:0.16
LogP (Chemaxon):0.4

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