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Chemical ID: 5475195
Chemical ID:
5475195
Name [?]:
2-chloro-5-[4-(4-fluorophenyl)piperazin-1-yl]carbonyl-N-phenyl-benzenesulfonamide
SMILES [?]:
c1ccc(cc1)NS(=O)(=O)c2cc(ccc2Cl)C(=O)N3CCN(CC3)c4ccc(cc4)F
InChi [?]:
InChI=1/C23H21ClFN3O3S/c24-21-11-6-17(16-22(21)32(30,31)26-19-4-2-1-3-5-19)23(29)28-14-12-27(13-15-28)20-9-7-18(25)8-10-20/h1-11,16,26H,12-15H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,14,28,30,27,31,15,22,24,21,25,12,13,29,4,26,16,11,18,17,32,7,23,20,19,9,10,8/E:(2,3)(4,5)(7,8)(9,10)(12,13)(14,15)(30,31)/CRV:32.6/rA:32nCCCCCCNSOOCCCCCCClCONCCNCCCCCCCCF/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;d8;s8;s11;d12;s13;d14;d11s15;s16;s13;d18;s18;s20;s21;s22;s23;s20s24;s23;s26;d27;s28;d29;d26s30;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H21ClFN3O3S |
All Atoms: | 32 |
Heavy Atoms: | 32 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.483 |
Area: | 651.672 |
Solvation: | -4.80875 |
Coulombic: | -40.0766 |
Bond Count [?]
All: | 35 |
Single: | 23 |
Double: | 12 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 473.948 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 4.86 |
LogP (Chemaxon): | 4.36 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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