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Chemical ID: 6620259
Chemical ID:
6620259
Name [?]:
N-(3-cyanophenyl)-3,4-dimethoxy-benzenesulfonamide
SMILES [?]:
COc1ccc(cc1OC)S(=O)(=O)Nc2cccc(c2)C#N
InChi [?]:
InChI=1/C15H14N2O4S/c1-20-14-7-6-13(9-15(14)21-2)22(18,19)17-12-5-3-4-11(8-12)10-16/h3-9,17H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,10,17,18,16,5,4,20,7,21,19,15,6,3,8,22,14,12,13,2,9,11/E:(18,19)/CRV:22.6/rA:22nCOCCCCCCOCSOONCCCCCCCN/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;d11;d11;s11;s14;s15;d16;s17;d18;d15s19;s19;t21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H14N2O4S |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.84687 |
Area: | 500.796 |
Solvation: | -5.67304 |
Coulombic: | -28.5464 |
Bond Count [?]
All: | 23 |
Single: | 14 |
Double: | 8 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 318.349 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 2.0 |
LogP (Chemaxon): | 1.92 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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