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Chemical ID: 5507059
Chemical ID:
5507059
Name [?]:
5-[4-(2-thienylsulfonylamino)benzoyl]aminobenzene-1,3-dicarboxamide
SMILES [?]:
c1cc(sc1)S(=O)(=O)Nc2ccc(cc2)C(=O)Nc3cc(cc(c3)C(=O)N)C(=O)N
InChi [?]:
InChI=1/C19H16N4O5S2/c20-17(24)12-8-13(18(21)25)10-15(9-12)22-19(26)11-3-5-14(6-4-11)23-30(27,28)16-2-1-7-29-16/h1-10,23H,(H2,20,24)(H2,21,25)(H,22,26)
InChi Info:
AuxInfo=1/1/N:1,2,12,14,11,15,5,22,20,24,13,21,23,10,19,3,28,25,16,30,27,18,9,29,26,17,7,8,4,6/E:(3,4)(5,6)(9,10)(12,13)(17,18)(20,21)(24,25)(27,28)/gE:(1,2)/CRV:30.6/rA:30nCCCSCSOONCCCCCCCONCCCCCCCONCON/rB:s1;d2;s3;d1s4;s3;d6;d6;s6;s9;s10;d11;s12;d13;d10s14;s13;d16;s16;s18;s19;d20;s21;d22;d19s23;s23;d25;s25;s21;d28;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H16N4O5S2 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.7272 |
Area: | 651.639 |
Solvation: | -5.56379 |
Coulombic: | -84.2139 |
Bond Count [?]
All: | 32 |
Single: | 19 |
Double: | 13 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 444.486 |
H-Bond Donors: | 6 |
H-Bond Acceptors: | 9 |
XLogP: | 0.52 |
LogP (Chemaxon): | 0.56 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
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