Chemical ID: 4075787

c1cc(c(cc1S(=O)(=O)N2CCN(CC2)CCO)Cl)F
Chemical ID:
4075787
Name [?]:
2-[4-(3-chloro-4-fluoro-phenyl)sulfonylpiperazin-1-yl]ethanol
SMILES [?]:
c1cc(c(cc1S(=O)(=O)N2CCN(CC2)CCO)Cl)F
InChi [?]:
InChI=1/C12H16ClFN2O3S/c13-11-9-10(1-2-12(11)14)20(18,19)16-5-3-15(4-6-16)7-8-17/h1-2,9,17H,3-8H2
InChi Info:
AuxInfo=1/0/N:1,2,12,14,11,15,16,17,5,6,4,3,19,20,13,10,18,8,9,7/E:(3,4)(5,6)(18,19)/CRV:20.6/rA:20nCCCCCCSOONCCNCCCCOClF/rB:s1;d2;s3;d4;d1s5;s6;d7;d7;s7;s10;s11;s12;s13;s10s14;s13;s16;s17;s4;s3;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H16ClFN2O3S
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:7.26979
Area:483.805
Solvation:-4.82533
Coulombic:-31.0502
Bond Count [?]
All:21
Single:16
Double:5
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:322.784
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:0.83
LogP (Chemaxon):1.19

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