Chemical ID: 5475195

c1ccc(cc1)NS(=O)(=O)c2cc(ccc2Cl)C(=O)N3CCN(CC3)c4ccc(cc4)F
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

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue