Chemical ID: 4041638

c1ccc(c(c1)F)S(=O)(=O)N(CCC#N)CCC#N
Chemical ID:
4041638
Name [?]:
N,N-bis(2-cyanoethyl)-2-fluoro-benzenesulfonamide
SMILES [?]:
c1ccc(c(c1)F)S(=O)(=O)N(CCC#N)CCC#N
InChi [?]:
InChI=1/C12H12FN3O2S/c13-11-5-1-2-6-12(11)19(17,18)16(9-3-7-14)10-4-8-15/h1-2,5-6H,3-4,9-10H2
InChi Info:
AuxInfo=1/0/N:1,2,13,17,6,3,14,18,12,16,5,4,7,15,19,11,9,10,8/E:(3,4)(7,8)(9,10)(14,15)(17,18)/CRV:19.6/rA:19nCCCCCCFSOONCCCNCCCN/rB:s1;d2;s3;d4;d1s5;s5;s4;d8;d8;s8;s11;s12;s13;t14;s11;s16;s17;t18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H12FN3O2S
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:7.57509
Area:468.873
Solvation:-4.14674
Coulombic:-14.9705
Bond Count [?]
All:19
Single:12
Double:5
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:281.307
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:0.57
LogP (Chemaxon):1.43

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