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Chemical ID: 4079415
Chemical ID:
4079415
Name [?]:
3-cyano-N-(2-methoxy-1-methyl-ethyl)-benzenesulfonamide
SMILES [?]:
CC(COC)NS(=O)(=O)c1cccc(c1)C#N
InChi [?]:
InChI=1/C11H14N2O3S/c1-9(8-16-2)13-17(14,15)11-5-3-4-10(6-11)7-12/h3-6,9,13H,8H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,5,12,13,11,15,16,3,2,14,10,17,6,8,9,4,7/E:(14,15)/CRV:17.6/rA:17cCCCOCNSOOCCCCCCCN/rB:s1;s2;s3;s4;s2;s6;d7;d7;s7;s10;d11;s12;d13;d10s14;s14;t16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H14N2O3S |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.47093 |
Area: | 439.652 |
Solvation: | -3.52038 |
Coulombic: | -23.3129 |
Bond Count [?]
All: | 17 |
Single: | 11 |
Double: | 5 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 254.307 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 0.86 |
LogP (Chemaxon): | 0.99 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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