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Chemical ID: 5494111

Cc1ccc(cc1)S(=O)(=O)N=c2n(c(cs2)c3ccccc3)C4CCCCC4

Chemical ID:

5494111

Name [?]:

N-(3-cyclohexyl-4-phenyl-thiazol-2-ylidene)-4-methyl-benzenesulfonamide

SMILES [?]:

Cc1ccc(cc1)S(=O)(=O)N=c2n(c(cs2)c3ccccc3)C4CCCCC4

InChi [?]:

InChI=1/C22H24N2O2S2/c1-17-12-14-20(15-13-17)28(25,26)23-22-24(19-10-6-3-7-11-19)21(16-27-22)18-8-4-2-5-9-18/h2,4-5,8-9,12-16,19H,3,6-7,10-11H2,1H3

InChi Info:

AuxInfo=1/0/N:1,20,26,19,21,25,27,18,22,24,28,3,7,4,6,15,2,17,23,5,14,12,11,13,9,10,16,8/E:(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)(25,26)/CRV:28.6/rA:28nCCCCCCCSOONCNCCSCCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;d8;s8;w11;s12;s13;d14;s12s15;s14;s17;d18;s19;d20;d17s21;s13;s23;s24;s25;s26;s23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₂₄N₂O₂S₂
All Atoms:	28
Heavy Atoms:	28
Chiral Atoms:	0

ZAP Information [?]

Total:	12.4216
Area:	557.465
Solvation:	-1.51501
Coulombic:	-19.0085

Bond Count [?]

All:	31
Single:	21
Double:	10
Rotors:	4
Chiral:	1
Rigid Segments:	5

Chemical Properties

Molecular Weight:	412.57
H-Bond Donors:	0
H-Bond Acceptors:	3
XLogP:	6.78
LogP (Chemaxon):	6.34

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value