Chemical ID: 6969324

COc1ccc(cc1)NS(=O)(=O)c2ccc(cc2)NC(=O)c3ccc(cc3)F
Chemical ID:
6969324
Name [?]:
4-fluoro-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-benzamide
SMILES [?]:
COc1ccc(cc1)NS(=O)(=O)c2ccc(cc2)NC(=O)c3ccc(cc3)F
InChi [?]:
InChI=1/C20H17FN2O4S/c1-27-18-10-6-17(7-11-18)23-28(25,26)19-12-8-16(9-13-19)22-20(24)14-2-4-15(21)5-3-14/h2-13,23H,1H3,(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,23,27,24,26,5,7,15,17,4,8,14,18,22,25,16,6,3,13,20,28,19,9,21,11,12,2,10/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)(25,26)/CRV:28.6/rA:28nCOCCCCCCNSOOCCCCCCNCOCCCCCCF/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;d10;s10;s13;d14;s15;d16;d13s17;s16;s19;d20;s20;s22;d23;s24;d25;d22s26;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H17FN2O4S
All Atoms:45
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:9.61498
Area:593.603
Solvation:-5.2251
Coulombic:-44.5619
Bond Count [?]
All:30
Single:18
Double:12
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:400.424
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:3.76
LogP (Chemaxon):3.55

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Descriptor Annotations

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