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Chemical ID: 6755640
Chemical ID:
6755640
Name [?]:
[2-chloro-5-(phenylcarbamoyl)phenyl]sulfonyl-(p-tolyl)azanide
SMILES [?]:
Cc1ccc(cc1)[N-]S(=O)(=O)c2cc(ccc2Cl)C(=O)Nc3ccccc3
InChi [?]:
InChI=1/C20H16ClN2O3S/c1-14-7-10-17(11-8-14)23-27(25,26)19-13-15(9-12-18(19)21)20(24)22-16-5-3-2-4-6-16/h2-13H,1H3,(H,22,24)/q-1
InChi Info:
AuxInfo=1/1/N:1,25,24,26,23,27,3,7,15,4,6,16,13,2,14,22,5,17,12,19,18,21,8,20,10,11,9/E:(3,4)(5,6)(7,8)(10,11)(25,26)/CRV:23-1,27.6/rA:27nCCCCCCCN-SOOCCCCCCClCONCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;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: | C20H16ClN2O3S- |
All Atoms: | 43 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -20.9514 |
Area: | 598.098 |
Solvation: | -35.9038 |
Coulombic: | 4.50576 |
Bond Count [?]
All: | 29 |
Single: | 17 |
Double: | 12 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 399.871 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 4.59 |
LogP (Chemaxon): | 4.65 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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