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Chemical ID: 4041638
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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