Chemical ID: 4273744

Cc1ccc(cc1)S(=O)(=O)Nc2cc(c(cc2Br)NS(=O)(=O)c3ccc(cc3)C)Br
Chemical ID:
4273744
Name [?]:
N-[2,5-dibromo-4-(p-tolylsulfonylamino)phenyl]-4-methyl-benzenesulfonamide
SMILES [?]:
Cc1ccc(cc1)S(=O)(=O)Nc2cc(c(cc2Br)NS(=O)(=O)c3ccc(cc3)C)Br
InChi [?]:
InChI=1/C20H18Br2N2O4S2/c1-13-3-7-15(8-4-13)29(25,26)23-19-11-18(22)20(12-17(19)21)24-30(27,28)16-9-5-14(2)6-10-16/h3-12,23-24H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,29,3,7,25,27,4,6,24,28,13,16,2,26,5,23,17,14,12,15,18,30,11,19,9,10,21,22,8,20/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26,27,28)(29,30)/CRV:29.6,30.6/rA:30nCCCCCCCSOONCCCCCCBrNSOOCCCCCCCBr/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;d8;s8;s11;s12;d13;s14;d15;d12s16;s17;s15;s19;d20;d20;s20;s23;d24;s25;d26;d23s27;s26;s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H18Br2N2O4S2
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:12.16
Area:596.129
Solvation:-2.74324
Coulombic:-25.738
Bond Count [?]
All:32
Single:19
Double:13
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:574.308
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:5.46
LogP (Chemaxon):5.69

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Descriptor Annotations

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