Chemical ID: 6155726

COc1ccc(cc1OC)Cc2nnc(s2)NS(=O)(=O)c3cc(ccc3Cl)Cl
Chemical ID:
6155726
Name [?]:
2,5-dichloro-N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-benzenesulfonamide
SMILES [?]:
COc1ccc(cc1OC)Cc2nnc(s2)NS(=O)(=O)c3cc(ccc3Cl)Cl
InChi [?]:
InChI=1/C17H15Cl2N3O4S2/c1-25-13-6-3-10(7-14(13)26-2)8-16-20-21-17(27-16)22-28(23,24)15-9-11(18)4-5-12(15)19/h3-7,9H,8H2,1-2H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,10,5,24,25,4,7,11,22,6,23,26,3,8,21,12,15,28,27,13,14,17,19,20,2,9,16,18/E:(23,24)/CRV:28.6/rA:28nCOCCCCCCOCCCNNCSNSOOCCCCCCClCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;s11;d12;s13;d14;s12s15;s15;s17;d18;d18;s18;s21;d22;s23;d24;d21s25;s26;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H15Cl2N3O4S2
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:9.80463
Area:642.185
Solvation:-6.25001
Coulombic:-30.6305
Bond Count [?]
All:30
Single:20
Double:10
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:460.356
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.56
LogP (Chemaxon):3.19

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Descriptor Annotations

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