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Chemical ID: 6552081
Chemical ID:
6552081
Name [?]:
5-(4-acetylpiperazin-1-yl)carbonyl-2-chloro-N-(4-chlorophenyl)-benzenesulfonamide
SMILES [?]:
CC(=O)N1CCN(CC1)C(=O)c2ccc(c(c2)S(=O)(=O)Nc3ccc(cc3)Cl)Cl
InChi [?]:
InChI=1/C19H19Cl2N3O4S/c1-13(25)23-8-10-24(11-9-23)19(26)14-2-7-17(21)18(12-14)29(27,28)22-16-5-3-15(20)4-6-16/h2-7,12,22H,8-11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,13,24,26,23,27,14,5,9,6,8,17,2,12,25,22,15,16,10,28,29,21,4,7,3,11,19,20,18/E:(3,4)(5,6)(8,9)(10,11)(27,28)/CRV:29.6/rA:29nCCONCCNCCCOCCCCCCSOONCCCCCCClCl/rB:s1;d2;s2;s4;s5;s6;s7;s4s8;s7;d10;s10;s12;d13;s14;d15;d12s16;s16;d18;d18;s18;s21;s22;d23;s24;d25;d22s26;s25;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H19Cl2N3O4S |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.2607 |
Area: | 629.656 |
Solvation: | -4.48066 |
Coulombic: | -44.0441 |
Bond Count [?]
All: | 31 |
Single: | 21 |
Double: | 10 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 456.343 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 7 |
XLogP: | 2.94 |
LogP (Chemaxon): | 1.89 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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