Chemical ID: 3881798

CN(C)S(=O)(=O)c1ccc(cc1)S(=O)(=O)N2CCc3ccccc3C2
Chemical ID:
3881798
Name [?]:
4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N,N-dimethyl-benzenesulfonamide
SMILES [?]:
CN(C)S(=O)(=O)c1ccc(cc1)S(=O)(=O)N2CCc3ccccc3C2
InChi [?]:
InChI=1/C17H20N2O4S2/c1-18(2)24(20,21)16-7-9-17(10-8-16)25(22,23)19-12-11-14-5-3-4-6-15(14)13-19/h3-10H,11-13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,21,22,20,23,8,12,9,11,18,17,25,19,24,7,10,2,16,5,6,14,15,4,13/E:(1,2)(7,8)(9,10)(20,21)(22,23)/CRV:24.6,25.6/rA:25cCNCSOOCCCCCCSOONCCCCCCCCC/rB:s1;s2;s2;d4;d4;s4;s7;d8;s9;d10;d7s11;s10;d13;d13;s13;s16;s17;s18;s19;d20;s21;d22;d19s23;s16s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H20N2O4S2
All Atoms:25
Heavy Atoms:25
Chiral Atoms:1
ZAP Information [?]
Total:10.3507
Area:551.667
Solvation:-3.44102
Coulombic:-15.043
Bond Count [?]
All:27
Single:17
Double:10
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:380.484
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:1.75
LogP (Chemaxon):2.06

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