Chemical ID: 5643488

COc1ccc(cc1)NC(=O)c2cccc(c2)S(=O)(=O)Nc3ccc(cc3)Br
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

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