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Chemical ID: 5643488
Chemical ID:
5643488
Name [?]:
3-[(4-bromophenyl)sulfamoyl]-N-(4-methoxyphenyl)-benzamide
SMILES [?]:
COc1ccc(cc1)NC(=O)c2cccc(c2)S(=O)(=O)Nc3ccc(cc3)Br
InChi [?]:
InChI=1/C20H17BrN2O4S/c1-27-18-11-9-16(10-12-18)22-20(24)14-3-2-4-19(13-14)28(25,26)23-17-7-5-15(21)6-8-17/h2-13,23H,1H3,(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,14,13,15,24,26,23,27,5,7,4,8,17,12,25,6,22,3,16,10,28,9,21,11,19,20,2,18/E:(5,6)(7,8)(9,10)(11,12)(25,26)/CRV:28.6/rA:28nCOCCCCCCNCOCCCCCCSOONCCCCCCBr/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s10;s12;d13;s14;d15;d12s16;s16;d18;d18;s18;s21;s22;d23;s24;d25;d22s26;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H17BrN2O4S |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.0196 |
Area: | 617.803 |
Solvation: | -4.4255 |
Coulombic: | -41.2748 |
Bond Count [?]
All: | 30 |
Single: | 18 |
Double: | 12 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 461.33 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 4.4 |
LogP (Chemaxon): | 4.2 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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