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Chemical ID: 4187964
Chemical ID:
4187964
Name [?]:
4-ethyl-N-(5-methyl-2-pyridyl)-benzenesulfonamide
SMILES [?]:
CCc1ccc(cc1)S(=O)(=O)Nc2ccc(cn2)C
InChi [?]:
InChI=1/C14H16N2O2S/c1-3-12-5-7-13(8-6-12)19(17,18)16-14-9-4-11(2)10-15-14/h4-10H,3H2,1-2H3,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,19,2,15,4,8,5,7,14,17,16,3,6,13,18,12,10,11,9/E:(5,6)(7,8)(17,18)/CRV:19.6/rA:19nCCCCCCCCSOONCCCCCNC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;d9;s9;s12;s13;d14;s15;d16;d13s17;s16;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H16N2O2S |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.90142 |
Area: | 454.755 |
Solvation: | -2.46746 |
Coulombic: | -17.8389 |
Bond Count [?]
All: | 20 |
Single: | 12 |
Double: | 8 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 276.355 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.32 |
LogP (Chemaxon): | 2.72 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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