Chemical ID: 3997527

c1cc(c(c(c1)F)S(=O)(=O)N2CCNCC2)F
Chemical ID:
3997527
Name [?]:
1-(2,6-difluorophenyl)sulfonylpiperazine
SMILES [?]:
c1cc(c(c(c1)F)S(=O)(=O)N2CCNCC2)F
InChi [?]:
InChI=1/C10H12F2N2O2S/c11-8-2-1-3-9(12)10(8)17(15,16)14-6-4-13-5-7-14/h1-3,13H,4-7H2
InChi Info:
AuxInfo=1/0/N:1,2,6,13,15,12,16,3,5,4,17,7,14,11,9,10,8/E:(2,3)(4,5)(6,7)(8,9)(11,12)(15,16)/CRV:17.6/rA:17nCCCCCCFSOONCCNCCF/rB:s1;d2;s3;d4;d1s5;s5;s4;d8;d8;s8;s11;s12;s13;s14;s11s15;s3;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H12F2N2O2S
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:5.45631
Area:382.068
Solvation:-4.0954
Coulombic:-21.5706
Bond Count [?]
All:18
Single:13
Double:5
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:262.277
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:0.84
LogP (Chemaxon):0.89

Name Annotations

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Descriptor Annotations

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