Chemical ID: 5178773

CN1CCN(CC1)C(=O)CN(c2cccc(c2)F)S(=O)(=O)C
Chemical ID:
5178773
Name [?]:
N-(3-fluorophenyl)-N-[(4-methylpiperazin-1-yl)carbonylmethyl]methanesulfonamide
SMILES [?]:
CN1CCN(CC1)C(=O)CN(c2cccc(c2)F)S(=O)(=O)C
InChi [?]:
InChI=1/C14H20FN3O3S/c1-16-6-8-17(9-7-16)14(19)11-18(22(2,20)21)13-5-3-4-12(15)10-13/h3-5,10H,6-9,11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,22,14,15,13,3,7,4,6,17,10,16,12,8,18,2,5,11,9,20,21,19/E:(6,7)(8,9)(20,21)/CRV:22.6/rA:22cCNCCNCCCOCNCCCCCCFSOOC/rB:s1;s2;s3;s4;s5;s2s6;s5;d8;s8;s10;s11;s12;d13;s14;d15;d12s16;s16;s11;d19;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H20FN3O3S
All Atoms:22
Heavy Atoms:22
Chiral Atoms:1
ZAP Information [?]
Total:7.709
Area:492.453
Solvation:-4.60233
Coulombic:-28.9269
Bond Count [?]
All:23
Single:17
Double:6
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:329.391
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:0.94
LogP (Chemaxon):-0.09

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