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Chemical ID: 7523683
Chemical ID:
7523683
Name [?]:
4-chloro-N-(2-methylsulfanylphenyl)-3-(m-tolylsulfamoyl)benzamide
SMILES [?]:
Cc1cccc(c1)NS(=O)(=O)c2cc(ccc2Cl)C(=O)Nc3ccccc3SC
InChi [?]:
InChI=1/C21H19ClN2O3S2/c1-14-6-5-7-16(12-14)24-29(26,27)20-13-15(10-11-17(20)22)21(25)23-18-8-3-4-9-19(18)28-2/h3-13,24H,1-2H3,(H,23,25)
InChi Info:
AuxInfo=1/1/N:1,29,24,25,4,3,5,23,26,15,16,7,13,2,14,6,17,22,27,12,19,18,21,8,20,10,11,28,9/E:(26,27)/CRV:29.6/rA:29nCCCCCCCNSOOCCCCCCClCONCCCCCCSC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;d9;s9;s12;d13;s14;d15;d12s16;s17;s14;d19;s19;s21;s22;d23;s24;d25;d22s26;s27;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H19ClN2O3S2 |
All Atoms: | 48 |
Heavy Atoms: | 29 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 12.5316 |
Area: | 638.007 |
Solvation: | -3.41854 |
Coulombic: | -35.4504 |
Bond Count [?]
All: | 31 |
Single: | 19 |
Double: | 12 |
Rotors: | 7 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 5.49 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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