Chemical ID: 4483026

CCN1CCN(CC1)C(=O)CN(c2cc(ccc2Cl)C(F)(F)F)S(=O)(=O)c3ccccc3
Chemical ID:
4483026
Name [?]:
N-[2-chloro-5-(trifluoromethyl)phenyl]-N-[(4-ethylpiperazin-1-yl)carbonylmethyl]benzenesulfonamide
SMILES [?]:
CCN1CCN(CC1)C(=O)CN(c2cc(ccc2Cl)C(F)(F)F)S(=O)(=O)c3ccccc3
InChi [?]:
InChI=1/C21H23ClF3N3O3S/c1-2-26-10-12-27(13-11-26)20(29)15-28(32(30,31)17-6-4-3-5-7-17)19-14-16(21(23,24)25)8-9-18(19)22/h3-9,14H,2,10-13,15H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,30,29,31,28,32,16,17,4,8,5,7,14,11,15,27,18,13,9,20,19,21,22,23,3,6,12,10,25,26,24/E:(4,5)(6,7)(10,11)(12,13)(23,24,25)(30,31)/CRV:32.6/rA:32cCCNCCNCCCOCNCCCCCCClCFFFSOOCCCCCC/rB:s1;s2;s3;s4;s5;s6;s3s7;s6;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s18;s15;s20;s20;s20;s12;d24;d24;s24;s27;d28;s29;d30;d27s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H23ClF3N3O3S
All Atoms:32
Heavy Atoms:32
Chiral Atoms:1
ZAP Information [?]
Total:10.9436
Area:631.278
Solvation:-4.83836
Coulombic:-47.7845
Bond Count [?]
All:34
Single:25
Double:9
Rotors:8
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:489.94
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:4.2
LogP (Chemaxon):3.57

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Descriptor Annotations

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