Chemical ID: 4076033

COc1ccc(cc1OC)S(=O)(=O)N(CCC#N)CCC#N
Chemical ID:
4076033
Name [?]:
N,N-bis(2-cyanoethyl)-3,4-dimethoxy-benzenesulfonamide
SMILES [?]:
COc1ccc(cc1OC)S(=O)(=O)N(CCC#N)CCC#N
InChi [?]:
InChI=1/C14H17N3O4S/c1-20-13-6-5-12(11-14(13)21-2)22(18,19)17(9-3-7-15)10-4-8-16/h5-6,11H,3-4,9-10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,10,16,20,5,4,17,21,15,19,7,6,3,8,18,22,14,12,13,2,9,11/E:(3,4)(7,8)(9,10)(15,16)(18,19)/CRV:22.6/rA:22nCOCCCCCCOCSOONCCCNCCCN/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;d11;d11;s11;s14;s15;s16;t17;s14;s19;s20;t21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H17N3O4S
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:6.48534
Area:538.294
Solvation:-6.97202
Coulombic:-23.4182
Bond Count [?]
All:22
Single:15
Double:5
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:323.369
H-Bond Donors:0
H-Bond Acceptors:7
XLogP:-0.03
LogP (Chemaxon):0.79

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Descriptor Annotations

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