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Chemical ID: 7296797

Chemical ID:

7296797

Name [?]:

2,5-dimethyl-N-[1-(4-pyridyl)ethyl]benzenesulfonamide

SMILES [?]:

Cc1ccc(c(c1)S(=O)(=O)NC(C)c2ccncc2)C

InChi [?]:

InChI=1/C15H18N2O2S/c1-11-4-5-12(2)15(10-11)20(18,19)17-13(3)14-6-8-16-9-7-14/h4-10,13,17H,1-3H3

InChi Info:

AuxInfo=1/0/N:1,20,13,3,4,15,19,16,18,7,2,5,12,14,6,17,11,9,10,8/E:(6,7)(8,9)(18,19)/CRV:20.6/rA:20cCCCCCCCSOONCCCCCNCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;d8;s8;s11;s12;s12;s14;d15;s16;d17;d14s18;s5;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₅H₁₈N₂O₂S
All Atoms:	38
Heavy Atoms:	20
Chiral Atoms:	1

ZAP Information [?]

Total:	9.03312
Area:	467.392
Solvation:	-2.65168
Coulombic:	-17.6391

Bond Count [?]

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

Chemical Properties

Molecular Weight:	290.382
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	2.52
LogP (Chemaxon):	2.74

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value