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Chemical ID: 5989656

c1ccc(cc1)c2nc(on2)C3CCN(CC3)S(=O)(=O)c4ccc(cc4)Cl

Chemical ID:

5989656

Name [?]:

1-(4-chlorophenyl)sulfonyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)-piperidine

SMILES [?]:

c1ccc(cc1)c2nc(on2)C3CCN(CC3)S(=O)(=O)c4ccc(cc4)Cl

InChi [?]:

InChI=1/C19H18ClN3O3S/c20-16-6-8-17(9-7-16)27(24,25)23-12-10-15(11-13-23)19-21-18(22-26-19)14-4-2-1-3-5-14/h1-9,15H,10-13H2

InChi Info:

AuxInfo=1/0/N:1,2,6,3,5,23,25,22,26,13,17,14,16,4,12,24,21,7,9,27,8,11,15,19,20,10,18/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)(24,25)/CRV:27.6/rA:27nCCCCCCCNCONCCCNCCSOOCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d7s10;s9;s12;s13;s14;s15;s12s16;s15;d18;d18;s18;s21;d22;s23;d24;d21s25;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₁₈ClN₃O₃S
All Atoms:	27
Heavy Atoms:	27
Chiral Atoms:	0

ZAP Information [?]

Total:	12.2299
Area:	601.496
Solvation:	-2.80752
Coulombic:	-21.3107

Bond Count [?]

All:	30
Single:	20
Double:	10
Rotors:	4
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	403.883
H-Bond Donors:	0
H-Bond Acceptors:	3
XLogP:	4.11
LogP (Chemaxon):	3.98

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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

Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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

Chemical Mix	Source	External ID	Descriptor	Value