Chemical ID: 4169917

Cc1ccc(cc1)S(=O)(=O)N=C2C=CC(=O)c3c2cccc3
Chemical ID:
4169917
Name [?]:
4-methyl-N-(4-oxo-1-naphthylidene)-benzenesulfonamide
SMILES [?]:
Cc1ccc(cc1)S(=O)(=O)N=C2C=CC(=O)c3c2cccc3
InChi [?]:
InChI=1/C17H13NO3S/c1-12-6-8-13(9-7-12)22(20,21)18-16-10-11-17(19)15-5-3-2-4-14(15)16/h2-11H,1H3
InChi Info:
AuxInfo=1/0/N:1,20,21,19,22,3,7,4,6,13,14,2,5,18,17,12,15,11,16,9,10,8/E:(6,7)(8,9)(20,21)/CRV:22.6/rA:22nCCCCCCCSOONCCCCOCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;d8;s8;w11;s12;d13;s14;d15;s15;s12s17;d18;s19;d20;d17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H13NO3S
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:10.1982
Area:491.51
Solvation:-2.08952
Coulombic:-17.6469
Bond Count [?]
All:24
Single:13
Double:11
Rotors:2
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:311.356
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.3
LogP (Chemaxon):3.87

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue