Chemical ID: 5814440

CNC(=O)C1Cc2ccccc2CN1S(=O)(=O)c3cccs3
Chemical ID:
5814440
Name [?]:
N-methyl-2-(2-thienylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
SMILES [?]:
CNC(=O)C1Cc2ccccc2CN1S(=O)(=O)c3cccs3
InChi [?]:
InChI=1/C15H16N2O3S2/c1-16-15(18)13-9-11-5-2-3-6-12(11)10-17(13)22(19,20)14-7-4-8-21-14/h2-8,13H,9-10H2,1H3,(H,16,18)
InChi Info:
AuxInfo=1/1/N:1,9,10,20,8,11,19,21,6,13,7,12,5,18,3,2,14,4,16,17,22,15/E:(19,20)/CRV:22.6/rA:22cCNCOCCCCCCCCCNSOOCCCCS/rB:s1;s2;d3;s3;s5;s6;s7;d8;s9;d10;d7s11;s12;s5s13;s14;d15;d15;s15;d18;s19;d20;s18s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H16N2O3S2
All Atoms:22
Heavy Atoms:22
Chiral Atoms:2
ZAP Information [?]
Total:8.04999
Area:473.439
Solvation:-3.78599
Coulombic:-29.7673
Bond Count [?]
All:24
Single:16
Double:8
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:336.431
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:1.0
LogP (Chemaxon):1.64

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Descriptor Annotations

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