Chemical ID: 4202772

CC(C)N1CCN(CC1)S(=O)(=O)c2ccc(cc2)NC(=O)C
Chemical ID:
4202772
Name [?]:
N-[4-(4-isopropylpiperazin-1-yl)sulfonylphenyl]acetamide
SMILES [?]:
CC(C)N1CCN(CC1)S(=O)(=O)c2ccc(cc2)NC(=O)C
InChi [?]:
InChI=1/C15H23N3O3S/c1-12(2)17-8-10-18(11-9-17)22(20,21)15-6-4-14(5-7-15)16-13(3)19/h4-7,12H,8-11H2,1-3H3,(H,16,19)
InChi Info:
AuxInfo=1/1/N:1,3,22,15,17,14,18,5,9,6,8,2,20,16,13,19,4,7,21,11,12,10/E:(1,2)(4,5)(6,7)(8,9)(10,11)(20,21)/CRV:22.6/rA:22nCCCNCCNCCSOOCCCCCCNCOC/rB:s1;s2;s2;s4;s5;s6;s7;s4s8;s7;d10;d10;s10;s13;d14;s15;d16;d13s17;s16;s19;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H23N3O3S
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:9.44406
Area:514.824
Solvation:-3.42653
Coulombic:-30.8835
Bond Count [?]
All:23
Single:17
Double:6
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:325.428
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:0.89
LogP (Chemaxon):1.06

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Descriptor Annotations

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