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Chemical ID: 5123879
Chemical ID:
5123879
Name [?]:
4-(3,4-dimethoxyphenyl)sulfonylamino-N-phenyl-benzamide
SMILES [?]:
COc1ccc(cc1OC)S(=O)(=O)Nc2ccc(cc2)C(=O)Nc3ccccc3
InChi [?]:
InChI=1/C21H20N2O5S/c1-27-19-13-12-18(14-20(19)28-2)29(25,26)23-17-10-8-15(9-11-17)21(24)22-16-6-4-3-5-7-16/h3-14,23H,1-2H3,(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,10,27,26,28,25,29,17,19,16,20,5,4,7,18,24,15,6,3,8,21,23,14,22,12,13,2,9,11/E:(4,5)(6,7)(8,9)(10,11)(25,26)/CRV:29.6/rA:29nCOCCCCCCOCSOONCCCCCCCONCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;d11;d11;s11;s14;s15;d16;s17;d18;d15s19;s18;d21;s21;s23;s24;d25;s26;d27;d24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H20N2O5S |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.99492 |
Area: | 618.331 |
Solvation: | -6.46336 |
Coulombic: | -47.4752 |
Bond Count [?]
All: | 31 |
Single: | 19 |
Double: | 12 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 412.46 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 7 |
XLogP: | 3.25 |
LogP (Chemaxon): | 3.16 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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