Chemical ID: 6150298

CCn1c(csc1=NS(=O)(=O)c2ccccc2)c3ccc(cc3)Br
Chemical ID:
6150298
Name [?]:
N-[4-(4-bromophenyl)-3-ethyl-thiazol-2-ylidene]benzenesulfonamide
SMILES [?]:
CCn1c(csc1=NS(=O)(=O)c2ccccc2)c3ccc(cc3)Br
InChi [?]:
InChI=1/C17H15BrN2O2S2/c1-2-20-16(13-8-10-14(18)11-9-13)12-23-17(20)19-24(21,22)15-6-4-3-5-7-15/h3-12H,2H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,15,14,16,13,17,19,23,20,22,5,18,21,12,4,7,24,8,3,10,11,6,9/E:(4,5)(6,7)(8,9)(10,11)(21,22)/CRV:24.6/rA:24nCCNCCSCNSOOCCCCCCCCCCCCBr/rB:s1;s2;s3;d4;s5;s3s6;w7;s8;d9;d9;s9;s12;d13;s14;d15;d12s16;s4;s18;d19;s20;d21;d18s22;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H15BrN2O2S2
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:11.8767
Area:535.129
Solvation:-1.5015
Coulombic:-17.9518
Bond Count [?]
All:26
Single:16
Double:10
Rotors:4
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:423.349
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:5.74
LogP (Chemaxon):5.42

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