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Chemical ID: 4202772
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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