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Chemical ID: 4067211
Chemical ID:
4067211
Name [?]:
N-(4,6-dimethyl-2-pyridyl)-4-fluoro-benzenesulfonamide
SMILES [?]:
Cc1cc(nc(c1)NS(=O)(=O)c2ccc(cc2)F)C
InChi [?]:
InChI=1/C13H13FN2O2S/c1-9-7-10(2)15-13(8-9)16-19(17,18)12-5-3-11(14)4-6-12/h3-8H,1-2H3,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,19,14,16,13,17,3,7,2,4,15,12,6,18,5,8,10,11,9/E:(3,4)(5,6)(17,18)/CRV:19.6/rA:19nCCCCNCCNSOOCCCCCCFC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;d9;s9;s12;d13;s14;d15;d12s16;s15;s4;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H13FN2O2S |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.39522 |
Area: | 427.719 |
Solvation: | -3.29776 |
Coulombic: | -19.9603 |
Bond Count [?]
All: | 20 |
Single: | 12 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 280.319 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.1 |
LogP (Chemaxon): | 1.04 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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