Chemical ID: 4782360

Cc1ccc(cc1)S(=O)(=O)NCCCCN2CCN(CC2)c3ccccc3OC
Chemical ID:
4782360
Name [?]:
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4-methyl-benzenesulfonamide
SMILES [?]:
Cc1ccc(cc1)S(=O)(=O)NCCCCN2CCN(CC2)c3ccccc3OC
InChi [?]:
InChI=1/C22H31N3O3S/c1-19-9-11-20(12-10-19)29(26,27)23-13-5-6-14-24-15-17-25(18-16-24)21-7-3-4-8-22(21)28-2/h3-4,7-12,23H,5-6,13-18H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,29,24,25,13,14,23,26,3,7,4,6,12,15,17,21,18,20,2,5,22,27,11,16,19,9,10,28,8/E:(9,10)(11,12)(15,16)(17,18)(26,27)/CRV:29.6/rA:29nCCCCCCCSOONCCCCNCCNCCCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;d8;s8;s11;s12;s13;s14;s15;s16;s17;s18;s19;s16s20;s19;s22;d23;s24;d25;d22s26;s27;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H31N3O3S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:11.6974
Area:668.412
Solvation:-5.01293
Coulombic:-31.7295
Bond Count [?]
All:31
Single:23
Double:8
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:417.566
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:3.6
LogP (Chemaxon):3.37

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Descriptor Annotations

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