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Chemical ID: 4169917
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
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Experimental Annotations
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Descriptor Annotations
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