Chemical ID: 4436743

Cc1ccc(c(c1C)C)S(=O)(=O)N2CCc3ccccc3C2
Chemical ID:
4436743
Name [?]:
2-(2,3,4-trimethylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline
SMILES [?]:
Cc1ccc(c(c1C)C)S(=O)(=O)N2CCc3ccccc3C2
InChi [?]:
InChI=1/C18H21NO2S/c1-13-8-9-18(15(3)14(13)2)22(20,21)19-11-10-16-6-4-5-7-17(16)12-19/h4-9H,10-12H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,8,9,18,19,17,20,3,4,15,14,22,2,7,6,16,21,5,13,11,12,10/E:(20,21)/CRV:22.6/rA:22cCCCCCCCCCSOONCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s5;d10;d10;s10;s13;s14;s15;s16;d17;s18;d19;d16s20;s13s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H21NO2S
All Atoms:22
Heavy Atoms:22
Chiral Atoms:1
ZAP Information [?]
Total:9.87566
Area:470.196
Solvation:-1.87924
Coulombic:-9.62984
Bond Count [?]
All:24
Single:16
Double:8
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:315.431
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.77
LogP (Chemaxon):4.33

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