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Chemical ID: 5760459

Chemical ID:

5760459

Name [?]:

3-(2,4,6-trimethylphenoxy)sulfonylaminopyridine

SMILES [?]:

Cc1cc(c(c(c1)C)OS(=O)(=O)Nc2cccnc2)C

InChi [?]:

InChI=1/C14H16N2O3S/c1-10-7-11(2)14(12(3)8-10)19-20(17,18)16-13-5-4-6-15-9-13/h4-9,16H,1-3H3

InChi Info:

AuxInfo=1/0/N:1,8,20,16,15,17,7,3,19,2,6,4,14,5,18,13,11,12,9,10/E:(2,3)(7,8)(11,12)(17,18)/CRV:20.6/rA:20nCCCCCCCCOSOONCCCCNCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;d10;s10;s13;s14;d15;s16;d17;d14s18;s4;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₄H₁₆N₂O₃S
All Atoms:	20
Heavy Atoms:	20
Chiral Atoms:	0

ZAP Information [?]

Total:	9.07535
Area:	443.533
Solvation:	-2.01297
Coulombic:	-21.5591

Bond Count [?]

All:	21
Single:	13
Double:	8
Rotors:	4
Chiral:	0
Rigid Segments:	3

Chemical Properties

Molecular Weight:	292.355
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	2.34
LogP (Chemaxon):	2.86

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value