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Chemical ID: 6404168
Chemical ID:
6404168
Name [?]:
4-(4-methoxyphenyl)sulfonylamino-N-phenyl-benzamide
SMILES [?]:
COc1ccc(cc1)S(=O)(=O)Nc2ccc(cc2)C(=O)Nc3ccccc3
InChi [?]:
InChI=1/C20H18N2O4S/c1-26-18-11-13-19(14-12-18)27(24,25)22-17-9-7-15(8-10-17)20(23)21-16-5-3-2-4-6-16/h2-14,22H,1H3,(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,25,24,26,23,27,15,17,14,18,4,8,5,7,16,22,13,3,6,19,21,12,20,10,11,2,9/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(24,25)/CRV:27.6/rA:27nCOCCCCCCSOONCCCCCCCONCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;d9;s9;s12;s13;d14;s15;d16;d13s17;s16;d19;s19;s21;s22;d23;s24;d25;d22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H18N2O4S |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.1447 |
Area: | 583.981 |
Solvation: | -4.45478 |
Coulombic: | -41.5969 |
Bond Count [?]
All: | 29 |
Single: | 17 |
Double: | 12 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 382.434 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 3.6 |
LogP (Chemaxon): | 3.41 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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