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Chemical ID: 5458372
Chemical ID:
5458372
Name [?]:
N-(2-methyl-4-quinolyl)-2-(2-thienylsulfonylamino)benzamide
SMILES [?]:
Cc1cc(c2ccccc2n1)NC(=O)c3ccccc3NS(=O)(=O)c4cccs4
InChi [?]:
InChI=1/C21H17N3O3S2/c1-14-13-19(15-7-2-4-9-17(15)22-14)23-21(25)16-8-3-5-10-18(16)24-29(26,27)20-11-6-12-28-20/h2-13,24H,1H3,(H,22,23,25)
InChi Info:
AuxInfo=1/1/N:1,7,17,8,18,27,6,16,9,19,26,28,3,2,5,15,10,20,4,25,13,11,12,21,14,23,24,29,22/E:(26,27)/CRV:29.6/rA:29nCCCCCCCCCCNNCOCCCCCCNSOOCCCCS/rB:s1;s2;d3;s4;s5;d6;s7;d8;d5s9;d2s10;s4;s12;d13;s13;s15;d16;s17;d18;d15s19;s20;s21;d22;d22;s22;d25;s26;d27;s25s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H17N3O3S2 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.8446 |
Area: | 605.628 |
Solvation: | -3.29613 |
Coulombic: | -40.4986 |
Bond Count [?]
All: | 32 |
Single: | 19 |
Double: | 13 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 423.51 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 3.59 |
LogP (Chemaxon): | 3.04 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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