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Chemical ID: 6138952
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
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Experimental Annotations
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Descriptor Annotations
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