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Chemical ID: 5404638
Chemical ID:
5404638
Name [?]:
4-chloro-N-(m-tolyl)-3-(phenylsulfamoyl)benzamide
SMILES [?]:
Cc1cccc(c1)NC(=O)c2ccc(c(c2)S(=O)(=O)Nc3ccccc3)Cl
InChi [?]:
InChI=1/C20H17ClN2O3S/c1-14-6-5-9-17(12-14)22-20(24)15-10-11-18(21)19(13-15)27(25,26)23-16-7-3-2-4-8-16/h2-13,23H,1H3,(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,24,23,25,4,3,22,26,5,12,13,7,16,2,11,21,6,14,15,9,27,8,20,10,18,19,17/E:(3,4)(7,8)(25,26)/CRV:27.6/rA:27nCCCCCCCNCOCCCCCCSOONCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s11;d12;s13;d14;d11s15;s15;d17;d17;s17;s20;s21;d22;s23;d24;d21s25;s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H17ClN2O3S |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.4628 |
Area: | 587.719 |
Solvation: | -3.23018 |
Coulombic: | -34.966 |
Bond Count [?]
All: | 29 |
Single: | 17 |
Double: | 12 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 400.879 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 4.74 |
LogP (Chemaxon): | 4.65 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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