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Chemical ID: 7359833
Chemical ID:
7359833
Name [?]:
2-methoxy-N-(4-sulfamoylphenyl)-benzenesulfonamide
SMILES [?]:
COc1ccccc1S(=O)(=O)Nc2ccc(cc2)S(=O)(=O)N
InChi [?]:
InChI=1/C13H14N2O5S2/c1-20-12-4-2-3-5-13(12)22(18,19)15-10-6-8-11(9-7-10)21(14,16)17/h2-9,15H,1H3,(H2,14,16,17)
InChi Info:
AuxInfo=1/1/N:1,5,6,4,7,14,18,15,17,13,16,3,8,22,12,20,21,10,11,2,19,9/E:(6,7)(8,9)(16,17)(18,19)/CRV:21.6,22.6/rA:22nCOCCCCCCSOONCCCCCCSOON/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d9;d9;s9;s12;s13;d14;s15;d16;d13s17;s16;d19;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H14N2O5S2 |
All Atoms: | 36 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.77547 |
Area: | 496.244 |
Solvation: | -4.63064 |
Coulombic: | -35.1913 |
Bond Count [?]
All: | 23 |
Single: | 13 |
Double: | 10 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 342.393 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 7 |
XLogP: | 1.09 |
LogP (Chemaxon): | 0.99 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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