Chemical ID: 4798736

CCN1CCN(CC1)S(=O)(=O)c2ccc(cc2)NC(=O)C
Chemical ID:
4798736
Name [?]:
N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]acetamide
SMILES [?]:
CCN1CCN(CC1)S(=O)(=O)c2ccc(cc2)NC(=O)C
InChi [?]:
InChI=1/C14H21N3O3S/c1-3-16-8-10-17(11-9-16)21(19,20)14-6-4-13(5-7-14)15-12(2)18/h4-7H,3,8-11H2,1-2H3,(H,15,18)
InChi Info:
AuxInfo=1/1/N:1,21,2,14,16,13,17,4,8,5,7,19,15,12,18,3,6,20,10,11,9/E:(4,5)(6,7)(8,9)(10,11)(19,20)/CRV:21.6/rA:21nCCNCCNCCSOOCCCCCCNCOC/rB:s1;s2;s3;s4;s5;s6;s3s7;s6;d9;d9;s9;s12;d13;s14;d15;d12s16;s15;s18;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H21N3O3S
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:8.99851
Area:496.798
Solvation:-3.42144
Coulombic:-30.7786
Bond Count [?]
All:22
Single:16
Double:6
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:311.401
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:0.43
LogP (Chemaxon):0.64

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Descriptor Annotations

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