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Chemical ID: 7291729
Chemical ID:
7291729
Name [?]:
2-methoxy-5-(p-tolylsulfonylamino)benzenesulfonamide
SMILES [?]:
Cc1ccc(cc1)S(=O)(=O)Nc2ccc(c(c2)S(=O)(=O)N)OC
InChi [?]:
InChI=1/C14H16N2O5S2/c1-10-3-6-12(7-4-10)23(19,20)16-11-5-8-13(21-2)14(9-11)22(15,17)18/h3-9,16H,1-2H3,(H2,15,17,18)
InChi Info:
AuxInfo=1/1/N:1,23,3,7,13,4,6,14,17,2,12,5,15,16,21,11,19,20,9,10,22,18,8/E:(3,4)(6,7)(17,18)(19,20)/CRV:22.6,23.6/rA:23nCCCCCCCSOONCCCCCCSOONOC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;d8;s8;s11;s12;d13;s14;d15;d12s16;s16;d18;d18;s18;s15;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H16N2O5S2 |
All Atoms: | 39 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.23875 |
Area: | 511.341 |
Solvation: | -4.54477 |
Coulombic: | -34.6838 |
Bond Count [?]
All: | 24 |
Single: | 14 |
Double: | 10 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 356.419 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 7 |
XLogP: | 1.53 |
LogP (Chemaxon): | 1.46 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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