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Chemical ID: 4175304
Chemical ID:
4175304
Name [?]:
4-chloro-3-(o-tolylsulfamoyl)-N-phenyl-benzamide
SMILES [?]:
Cc1ccccc1NS(=O)(=O)c2cc(ccc2Cl)C(=O)Nc3ccccc3
InChi [?]:
InChI=1/C20H17ClN2O3S/c1-14-7-5-6-10-18(14)23-27(25,26)19-13-15(11-12-17(19)21)20(24)22-16-8-3-2-4-9-16/h2-13,23H,1H3,(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,25,24,26,4,5,3,23,27,6,15,16,13,2,14,22,17,7,12,19,18,21,8,20,10,11,9/E:(3,4)(8,9)(25,26)/CRV:27.6/rA:27nCCCCCCCNSOOCCCCCCClCONCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;d9;s9;s12;d13;s14;d15;d12s16;s17;s14;d19;s19;s21;s22;d23;s24;d25;d22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H17ClN2O3S |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.0286 |
Area: | 580.289 |
Solvation: | -3.47858 |
Coulombic: | -34.5985 |
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: | 4.53 |
LogP (Chemaxon): | 4.65 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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