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Chemical ID: 6969324
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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