Chemical ID: 6755640

Cc1ccc(cc1)[N-]S(=O)(=O)c2cc(ccc2Cl)C(=O)Nc3ccccc3
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

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Descriptor Annotations

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