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Chemical ID: 5155635
Chemical ID:
5155635
Name [?]:
4-(4-amino-2-methoxy-phenyl)sulfonyl-3-methoxy-aniline
SMILES [?]:
COc1cc(ccc1S(=O)(=O)c2ccc(cc2OC)N)N
InChi [?]:
InChI=1/C14H16N2O4S/c1-19-11-7-9(15)3-5-13(11)21(17,18)14-6-4-10(16)8-12(14)20-2/h3-8H,15-16H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,19,6,14,7,13,4,16,5,15,3,17,8,12,21,20,10,11,2,18,9/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)/CRV:21.6/rA:21nCOCCCCCCSOOCCCCCCOCNN/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d9;d9;s9;s12;d13;s14;d15;d12s16;s17;s18;s15;s5;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H16N2O4S |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.97372 |
Area: | 465.126 |
Solvation: | -4.65442 |
Coulombic: | -51.2423 |
Bond Count [?]
All: | 22 |
Single: | 14 |
Double: | 8 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 308.354 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 6 |
XLogP: | 0.27 |
LogP (Chemaxon): | 0.8 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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