Chemical ID: 6244582

Cc1ccc(c2c1sc(n2)NC(=O)c3ccc(cc3)S(=O)(=O)N(C)C)OC
Chemical ID:
6244582
Name [?]:
4-(dimethylsulfamoyl)-N-(4-methoxy-7-methyl-benzothiazol-2-yl)-benzamide
SMILES [?]:
Cc1ccc(c2c1sc(n2)NC(=O)c3ccc(cc3)S(=O)(=O)N(C)C)OC
InChi [?]:
InChI=1/C18H19N3O4S2/c1-11-5-10-14(25-4)15-16(11)26-18(19-15)20-17(22)12-6-8-13(9-7-12)27(23,24)21(2)3/h5-10H,1-4H3,(H,19,20,22)
InChi Info:
AuxInfo=1/1/N:1,24,25,27,3,15,19,16,18,4,2,14,17,5,6,7,12,9,10,11,23,13,21,22,26,8,20/E:(2,3)(6,7)(8,9)(23,24)/CRV:27.6/rA:27nCCCCCCCSCNNCOCCCCCCSOONCCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s6d9;s9;s11;d12;s12;s14;d15;s16;d17;d14s18;s17;d20;d20;s20;s23;s23;s5;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H19N3O4S2
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:9.34757
Area:603.942
Solvation:-5.75098
Coulombic:-40.5924
Bond Count [?]
All:29
Single:19
Double:10
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:405.493
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:2.13
LogP (Chemaxon):3.48

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Descriptor Annotations

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