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Chemical ID: 3997527
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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Experimental Annotations
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Descriptor Annotations
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