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Chemical ID: 4798736
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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