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Chemical ID: 5513406
Chemical ID:
5513406
Name [?]:
N-benzyl-3-[(4-fluorophenyl)sulfamoyl]benzamide
SMILES [?]:
c1ccc(cc1)CNC(=O)c2cccc(c2)S(=O)(=O)Nc3ccc(cc3)F
InChi [?]:
InChI=1/C20H17FN2O3S/c21-17-9-11-18(12-10-17)23-27(25,26)19-8-4-7-16(13-19)20(24)22-14-15-5-2-1-3-6-15/h1-13,23H,14H2,(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,2,6,13,3,5,12,14,23,25,22,26,16,7,4,11,24,21,15,9,27,8,20,10,18,19,17/E:(2,3)(5,6)(9,10)(11,12)(25,26)/CRV:27.6/rA:27nCCCCCCCNCOCCCCCCSOONCCCCCCF/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s11;d12;s13;d14;d11s15;s15;d17;d17;s17;s20;s21;d22;s23;d24;d21s25;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H17FN2O3S |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.7261 |
Area: | 587.767 |
Solvation: | -3.96807 |
Coulombic: | -39.4196 |
Bond Count [?]
All: | 29 |
Single: | 17 |
Double: | 12 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 384.425 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 3.99 |
LogP (Chemaxon): | 3.42 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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