Chemical ID: 6138952

c1cc(ccc1c2csc(n2)Nc3ccc(cc3)S(=O)(=O)N)Br
Chemical ID:
6138952
Name [?]:
4-[4-(4-bromophenyl)thiazol-2-yl]aminobenzenesulfonamide
SMILES [?]:
c1cc(ccc1c2csc(n2)Nc3ccc(cc3)S(=O)(=O)N)Br
InChi [?]:
InChI=1/C15H12BrN3O2S2/c16-11-3-1-10(2-4-11)14-9-22-15(19-14)18-12-5-7-13(8-6-12)23(17,20)21/h1-9H,(H,18,19)(H2,17,20,21)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,14,18,15,17,8,6,3,13,16,7,10,23,22,12,11,20,21,9,19/E:(1,2)(3,4)(5,6)(7,8)(20,21)/CRV:23.6/rA:23nCCCCCCCCSCNNCCCCCCSOONBr/rB:s1;d2;s3;d4;d1s5;s6;d7;s8;s9;s7d10;s10;s12;s13;d14;s15;d16;d13s17;s16;d19;d19;s19;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H12BrN3O2S2
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:10.8712
Area:547.294
Solvation:-2.81113
Coulombic:-34.7849
Bond Count [?]
All:25
Single:15
Double:10
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:410.311
H-Bond Donors:3
H-Bond Acceptors:4
XLogP:3.33
LogP (Chemaxon):4.07

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue