Chemical ID: 4329847

CN(C)S(=O)(=O)c1ccc(cc1)C(=O)Nc2nc3ccc(cc3s2)OC
Chemical ID:
4329847
Name [?]:
4-(dimethylsulfamoyl)-N-(6-methoxybenzothiazol-2-yl)-benzamide
SMILES [?]:
CN(C)S(=O)(=O)c1ccc(cc1)C(=O)Nc2nc3ccc(cc3s2)OC
InChi [?]:
InChI=1/C17H17N3O4S2/c1-20(2)26(22,23)13-7-4-11(5-8-13)16(21)19-17-18-14-9-6-12(24-3)10-15(14)25-17/h4-10H,1-3H3,(H,18,19,21)
InChi Info:
AuxInfo=1/1/N:1,3,26,9,11,20,8,12,19,22,10,21,7,18,23,13,16,17,15,2,14,5,6,25,24,4/E:(1,2)(4,5)(7,8)(22,23)/CRV:26.6/rA:26nCNCSOOCCCCCCCONCNCCCCCCSOC/rB:s1;s2;s2;d4;d4;s4;s7;d8;s9;d10;d7s11;s10;d13;s13;s15;d16;s17;s18;d19;s20;d21;d18s22;s16s23;s21;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H17N3O4S2
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:9.68274
Area:588.008
Solvation:-5.01746
Coulombic:-40.4671
Bond Count [?]
All:28
Single:18
Double:10
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:391.467
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:1.91
LogP (Chemaxon):3.01

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