Chemical ID: 5507059

c1cc(sc1)S(=O)(=O)Nc2ccc(cc2)C(=O)Nc3cc(cc(c3)C(=O)N)C(=O)N
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

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Descriptor Annotations

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