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Chemical ID: 4040722
Chemical ID:
4040722
Name [?]:
N-(2-cyanoethyl)-2,4-difluoro-N-methyl-benzenesulfonamide
SMILES [?]:
CN(CCC#N)S(=O)(=O)c1ccc(cc1F)F
InChi [?]:
InChI=1/C10H10F2N2O2S/c1-14(6-2-5-13)17(15,16)10-4-3-8(11)7-9(10)12/h3-4,7H,2,6H2,1H3
InChi Info:
AuxInfo=1/0/N:1,4,12,11,5,3,14,13,15,10,17,16,6,2,8,9,7/E:(15,16)/CRV:17.6/rA:17cCNCCCNSOOCCCCCCFF/rB:s1;s2;s3;s4;t5;s2;d7;d7;s7;s10;d11;s12;d13;d10s14;s15;s13;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H10F2N2O2S |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.13327 |
Area: | 411.795 |
Solvation: | -4.1616 |
Coulombic: | -14.8355 |
Bond Count [?]
All: | 17 |
Single: | 11 |
Double: | 5 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 260.261 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 1.08 |
LogP (Chemaxon): | 1.51 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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