Chemical ID: 5178694

CN1CCN(CC1)C(=O)CN(c2ccc(cc2)Cl)S(=O)(=O)c3ccc(cc3)OC
Chemical ID:
5178694
Name [?]:
N-(4-chlorophenyl)-4-methoxy-N-[(4-methylpiperazin-1-yl)carbonylmethyl]benzenesulfonamide
SMILES [?]:
CN1CCN(CC1)C(=O)CN(c2ccc(cc2)Cl)S(=O)(=O)c3ccc(cc3)OC
InChi [?]:
InChI=1/C20H24ClN3O4S/c1-22-11-13-23(14-12-22)20(25)15-24(17-5-3-16(21)4-6-17)29(26,27)19-9-7-18(28-2)8-10-19/h3-10H,11-15H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,29,14,16,13,17,24,26,23,27,3,7,4,6,10,15,12,25,22,8,18,2,5,11,9,20,21,28,19/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(26,27)/CRV:29.6/rA:29cCNCCNCCCOCNCCCCCCClSOOCCCCCCOC/rB:s1;s2;s3;s4;s5;s2s6;s5;d8;s8;s10;s11;s12;d13;s14;d15;d12s16;s15;s11;d19;d19;s19;s22;d23;s24;d25;d22s26;s25;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H24ClN3O4S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:10.5759
Area:621.691
Solvation:-4.96633
Coulombic:-35.9345
Bond Count [?]
All:31
Single:22
Double:9
Rotors:7
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:437.941
H-Bond Donors:0
H-Bond Acceptors:7
XLogP:2.77
LogP (Chemaxon):2.09

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