Chemical ID: 4066729

Cc1ccc(cc1)S(=O)(=O)N(C)Cc2cccnc2
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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