Chemical ID: 4079415

CC(COC)NS(=O)(=O)c1cccc(c1)C#N
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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Descriptor Annotations

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