Chemical ID: 6747434

COc1ccc(cc1)[N-]S(=O)(=O)c2cccc(c2)C(=O)Nc3ccccc3
Chemical ID:
6747434
Name [?]:
(4-methoxyphenyl)-[3-(phenylcarbamoyl)phenyl]sulfonyl-azanide
SMILES [?]:
COc1ccc(cc1)[N-]S(=O)(=O)c2cccc(c2)C(=O)Nc3ccccc3
InChi [?]:
InChI=1/C20H17N2O4S/c1-26-18-12-10-17(11-13-18)22-27(24,25)19-9-5-6-15(14-19)20(23)21-16-7-3-2-4-8-16/h2-14H,1H3,(H,21,23)/q-1
InChi Info:
AuxInfo=1/1/N:1,25,24,26,15,16,23,27,14,5,7,4,8,18,17,22,6,3,13,19,21,9,20,11,12,2,10/E:(3,4)(7,8)(10,11)(12,13)(24,25)/CRV:22-1,27.6/rA:27nCOCCCCCCN-SOOCCCCCCCONCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;d10;s10;s13;d14;s15;d16;d13s17;s17;d19;s19;s21;s22;d23;s24;d25;d22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H17N2O4S-
All Atoms:44
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:-21.4827
Area:594.89
Solvation:-36.3549
Coulombic:-4.13891
Bond Count [?]
All:29
Single:17
Double:12
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:381.426
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:3.44
LogP (Chemaxon):3.41

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue