Chemical ID: 5404220

CN(CCC#N)S(=O)(=O)c1cc(ccc1Br)Br
Chemical ID:
5404220
Name [?]:
2,5-dibromo-N-(2-cyanoethyl)-N-methyl-benzenesulfonamide
SMILES [?]:
CN(CCC#N)S(=O)(=O)c1cc(ccc1Br)Br
InChi [?]:
InChI=1/C10H10Br2N2O2S/c1-14(6-2-5-13)17(15,16)10-7-8(11)3-4-9(10)12/h3-4,7H,2,6H2,1H3
InChi Info:
AuxInfo=1/0/N:1,4,13,14,5,3,11,12,15,10,17,16,6,2,8,9,7/E:(15,16)/CRV:17.6/rA:17cCNCCCNSOOCCCCCCBrBr/rB:s1;s2;s3;s4;t5;s2;d7;d7;s7;s10;d11;s12;d13;d10s14;s15;s12;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H10Br2N2O2S
All Atoms:17
Heavy Atoms:17
Chiral Atoms:1
ZAP Information [?]
Total:8.67069
Area:452.934
Solvation:-2.65266
Coulombic:-9.08975
Bond Count [?]
All:17
Single:11
Double:5
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:382.073
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:2.36
LogP (Chemaxon):2.82

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Descriptor Annotations

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