Chemical ID: 6214614

Cc1ccc(cc1C)S(=O)(=O)N2CCc3ccccc3C2
Chemical ID:
6214614
Name [?]:
2-(3,4-dimethylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline
SMILES [?]:
Cc1ccc(cc1C)S(=O)(=O)N2CCc3ccccc3C2
InChi [?]:
InChI=1/C17H19NO2S/c1-13-7-8-17(11-14(13)2)21(19,20)18-10-9-15-5-3-4-6-16(15)12-18/h3-8,11H,9-10,12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,8,17,18,16,19,3,4,14,13,6,21,2,7,15,20,5,12,10,11,9/E:(19,20)/CRV:21.6/rA:21cCCCCCCCCSOONCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;d9;d9;s9;s12;s13;s14;s15;d16;s17;d18;d15s19;s12s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H19NO2S
All Atoms:21
Heavy Atoms:21
Chiral Atoms:1
ZAP Information [?]
Total:9.90344
Area:474.538
Solvation:-1.96001
Coulombic:-9.58367
Bond Count [?]
All:23
Single:15
Double:8
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:301.404
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.54
LogP (Chemaxon):3.87

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Descriptor Annotations

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