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Chemical ID: 4066729
Chemical ID:
4066729
Name [?]:
N,4-dimethyl-N-(3-pyridylmethyl)benzenesulfonamide
SMILES [?]:
Cc1ccc(cc1)S(=O)(=O)N(C)Cc2cccnc2
InChi [?]:
InChI=1/C14H16N2O2S/c1-12-5-7-14(8-6-12)19(17,18)16(2)11-13-4-3-9-15-10-13/h3-10H,11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,12,16,15,3,7,4,6,17,19,13,2,14,5,18,11,9,10,8/E:(5,6)(7,8)(17,18)/CRV:19.6/rA:19cCCCCCCCSOONCCCCCCNC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;d8;s8;s11;s11;s13;s14;d15;s16;d17;d14s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H16N2O2S |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.59377 |
Area: | 452.922 |
Solvation: | -2.72928 |
Coulombic: | -12.7975 |
Bond Count [?]
All: | 20 |
Single: | 12 |
Double: | 8 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 276.355 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 2.01 |
LogP (Chemaxon): | 2.1 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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