Chemical ID: 5459905

Cc1ccc(c(c1)NS(=O)(=O)c2cc(ccc2C)C(=O)N3CCN(CC3)c4ccccc4)C
Chemical ID:
5459905
Name [?]:
N-(2,5-dimethylphenyl)-2-methyl-5-(4-phenylpiperazin-1-yl)carbonyl-benzenesulfonamide
SMILES [?]:
Cc1ccc(c(c1)NS(=O)(=O)c2cc(ccc2C)C(=O)N3CCN(CC3)c4ccccc4)C
InChi [?]:
InChI=1/C26H29N3O3S/c1-19-9-10-20(2)24(17-19)27-33(31,32)25-18-22(12-11-21(25)3)26(30)29-15-13-28(14-16-29)23-7-5-4-6-8-23/h4-12,17-18,27H,13-16H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,33,18,30,29,31,28,32,3,4,16,15,23,25,22,26,7,13,2,5,17,14,27,6,12,19,8,24,21,20,10,11,9/E:(5,6)(7,8)(13,14)(15,16)(31,32)/CRV:33.6/rA:33nCCCCCCCNSOOCCCCCCCCONCCNCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;d9;s9;s12;d13;s14;d15;d12s16;s17;s14;d19;s19;s21;s22;s23;s24;s21s25;s24;s27;d28;s29;d30;d27s31;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H29N3O3S
All Atoms:33
Heavy Atoms:33
Chiral Atoms:0
ZAP Information [?]
Total:12.302
Area:649.788
Solvation:-3.94273
Coulombic:-36.9177
Bond Count [?]
All:36
Single:24
Double:12
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:463.593
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:4.96
LogP (Chemaxon):5.11

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