Chemical ID: 7219831

Cn1cc(cn1)S(=O)(=O)N2CC[NH+](CC2)Cc3ccc(cc3Cl)F
Chemical ID:
7219831
Name [?]:
1-[(2-chloro-4-fluoro-phenyl)methyl]-4-(1-methylpyrazol-4-yl)sulfonyl-2,3,5,6-tetrahydropyrazine
SMILES [?]:
Cn1cc(cn1)S(=O)(=O)N2CC[NH+](CC2)Cc3ccc(cc3Cl)F
InChi [?]:
InChI=1/C15H18ClFN4O2S/c1-19-11-14(9-18-19)24(22,23)21-6-4-20(5-7-21)10-12-2-3-13(17)8-15(12)16/h2-3,8-9,11H,4-7,10H2,1H3/p+1
InChi Info:
AuxInfo=1/1/N:1,18,19,12,14,11,15,21,5,16,3,17,20,4,22,23,24,6,2,13,10,8,9,7/E:(4,5)(6,7)(22,23)/CRV:24.6/rA:24nCNCCCNSOONCCN+CCCCCCCCCClF/rB:s1;s2;d3;s4;s2d5;s4;d7;d7;s7;s10;s11;s12;s13;s10s14;s13;s16;s17;d18;s19;d20;d17s21;s22;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H19ClFN4O2S+
All Atoms:43
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:-21.6266
Area:542.847
Solvation:-35.1978
Coulombic:19.4367
Bond Count [?]
All:26
Single:19
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:373.854
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:1.74
LogP (Chemaxon):1.68

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