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Chemical ID: 4200722
Chemical ID:
4200722
Name [?]:
N-benzo[1,3]dioxol-5-yl-4-methyl-benzenesulfonamide
SMILES [?]:
Cc1ccc(cc1)S(=O)(=O)Nc2ccc3c(c2)OCO3
InChi [?]:
InChI=1/C14H13NO4S/c1-10-2-5-12(6-3-10)20(16,17)15-11-4-7-13-14(8-11)19-9-18-13/h2-8,15H,9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,3,7,13,4,6,14,17,19,2,12,5,15,16,11,9,10,20,18,8/E:(2,3)(5,6)(16,17)/CRV:20.6/rA:20nCCCCCCCSOONCCCCCCOCO/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;d8;s8;s11;s12;d13;s14;d15;d12s16;s16;s18;s15s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H13NO4S |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.96353 |
Area: | 448.567 |
Solvation: | -3.25064 |
Coulombic: | -28.8345 |
Bond Count [?]
All: | 22 |
Single: | 14 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 291.323 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 2.91 |
LogP (Chemaxon): | 2.76 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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