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Chemical ID: 4016423
Chemical ID:
4016423
Name [?]:
N-[4-(4-acetylpiperazin-1-yl)sulfonylphenyl]acetamide
SMILES [?]:
CC(=O)Nc1ccc(cc1)S(=O)(=O)N2CCN(CC2)C(=O)C
InChi [?]:
InChI=1/C14H19N3O4S/c1-11(18)15-13-3-5-14(6-4-13)22(20,21)17-9-7-16(8-10-17)12(2)19/h3-6H,7-10H2,1-2H3,(H,15,18)
InChi Info:
AuxInfo=1/1/N:1,22,6,10,7,9,16,18,15,19,2,20,5,8,4,17,14,3,21,12,13,11/E:(3,4)(5,6)(7,8)(9,10)(20,21)/CRV:22.6/rA:22nCCONCCCCCCSOONCCNCCCOC/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s8;d11;d11;s11;s14;s15;s16;s17;s14s18;s17;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H19N3O4S |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.35943 |
Area: | 510.669 |
Solvation: | -4.40728 |
Coulombic: | -40.1922 |
Bond Count [?]
All: | 23 |
Single: | 16 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 325.384 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 7 |
XLogP: | -0.2 |
LogP (Chemaxon): | -0.4 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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