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Chemical ID: 5715919
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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