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Chemical ID: 7252897
Chemical ID:
7252897
Name [?]:
N-[2-(4-methoxyphenyl)ethyl]-4-(methyl-phenyl-sulfamoyl)-benzamide
SMILES [?]:
CN(c1ccccc1)S(=O)(=O)c2ccc(cc2)C(=O)NCCc3ccc(cc3)OC
InChi [?]:
InChI=1/C23H24N2O4S/c1-25(20-6-4-3-5-7-20)30(27,28)22-14-10-19(11-15-22)23(26)24-17-16-18-8-12-21(29-2)13-9-18/h3-15H,16-17H2,1-2H3,(H,24,26)
InChi Info:
AuxInfo=1/1/N:1,30,6,5,7,4,8,24,28,14,16,25,27,13,17,22,21,23,15,3,26,12,18,20,2,19,10,11,29,9/E:(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)(27,28)/CRV:30.6/rA:30cCNCCCCCCSOOCCCCCCCONCCCCCCCCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s2;d9;d9;s9;s12;d13;s14;d15;d12s16;s15;d18;s18;s20;s21;s22;s23;d24;s25;d26;d23s27;s26;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H24N2O4S |
All Atoms: | 54 |
Heavy Atoms: | 30 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.7151 |
Area: | 663.077 |
Solvation: | -4.8618 |
Coulombic: | -38.2267 |
Bond Count [?]
All: | 32 |
Single: | 20 |
Double: | 12 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 424.514 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 4.47 |
LogP (Chemaxon): | 3.53 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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