Chemical ID: 4040722

CN(CCC#N)S(=O)(=O)c1ccc(cc1F)F
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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