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Chemical ID: 5178694
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
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Experimental Annotations
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Descriptor Annotations
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