Chemical ID: 7357616

c1cc(cc(c1)S(=O)(=O)N2CCN(CC2)C(=O)C=Cc3cccc(c3Cl)Cl)F
Chemical ID:
7357616
Name [?]:
3-(2,3-dichlorophenyl)-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-prop-2-en-1-one
SMILES [?]:
c1cc(cc(c1)S(=O)(=O)N2CCN(CC2)C(=O)C=Cc3cccc(c3Cl)Cl)F
InChi [?]:
InChI=1/C19H17Cl2FN2O3S/c20-17-6-1-3-14(19(17)21)7-8-18(25)23-9-11-24(12-10-23)28(26,27)16-5-2-4-15(22)13-16/h1-8,13H,9-12H2
InChi Info:
AuxInfo=1/0/N:22,1,21,2,6,23,19,18,12,14,11,15,4,20,3,5,24,16,25,27,26,28,13,10,17,8,9,7/E:(9,10)(11,12)(26,27)/CRV:28.6/rA:28nCCCCCCSOONCCNCCCOCCCCCCCCClClF/rB:s1;d2;s3;d4;d1s5;s5;d7;d7;s7;s10;s11;s12;s13;s10s14;s13;d16;s16;w18;s19;s20;d21;s22;d23;d20s24;s25;s24;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H17Cl2FN2O3S
All Atoms:45
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:11.2882
Area:628.309
Solvation:-4.41952
Coulombic:-29.1073
Bond Count [?]
All:30
Single:20
Double:10
Rotors:5
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:443.32
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:3.94
LogP (Chemaxon):3.77

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Descriptor Annotations

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