Chemical ID: 6552081

CC(=O)N1CCN(CC1)C(=O)c2ccc(c(c2)S(=O)(=O)Nc3ccc(cc3)Cl)Cl
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

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Descriptor Annotations

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