Chemical ID: 6620259

COc1ccc(cc1OC)S(=O)(=O)Nc2cccc(c2)C#N
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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