Chemical ID: 4066144

c1cc(ccc1F)S(=O)(=O)N2CCN(CC2)C=O
Chemical ID:
4066144
Name [?]:
4-(4-fluorophenyl)sulfonylpiperazine-1-carbaldehyde
SMILES [?]:
c1cc(ccc1F)S(=O)(=O)N2CCN(CC2)C=O
InChi [?]:
InChI=1/C11H13FN2O3S/c12-10-1-3-11(4-2-10)18(16,17)14-7-5-13(9-15)6-8-14/h1-4,9H,5-8H2
InChi Info:
AuxInfo=1/0/N:1,5,2,4,13,15,12,16,17,6,3,7,14,11,18,9,10,8/E:(1,2)(3,4)(5,6)(7,8)(16,17)/CRV:18.6/rA:18nCCCCCCFSOONCCNCCCO/rB:s1;d2;s3;d4;d1s5;s6;s3;d8;d8;s8;s11;s12;s13;s14;s11s15;s14;d17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H13FN2O3S
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:6.26152
Area:422.837
Solvation:-4.30941
Coulombic:-24.8923
Bond Count [?]
All:19
Single:13
Double:6
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:272.297
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:0.47
LogP (Chemaxon):0.32

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Descriptor Annotations

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