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Chemical ID: 4273744
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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