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Chemical ID: 4245725

Chemical ID:

4245725

Name [?]:

2-phenylsulfonyl-1-(1-piperidyl)ethanone

SMILES [?]:

c1ccc(cc1)S(=O)(=O)CC(=O)N2CCCCC2

InChi [?]:

InChI=1/C13H17NO3S/c15-13(14-9-5-2-6-10-14)11-18(16,17)12-7-3-1-4-8-12/h1,3-4,7-8H,2,5-6,9-11H2

InChi Info:

AuxInfo=1/0/N:1,16,2,6,15,17,3,5,14,18,10,4,11,13,12,8,9,7/E:(3,4)(5,6)(7,8)(9,10)(16,17)/CRV:18.6/rA:18nCCCCCCSOOCCONCCCCC/rB:s1;d2;s3;d4;d1s5;s4;d7;d7;s7;s10;d11;s11;s13;s14;s15;s16;s13s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₃H₁₇NO₃S
All Atoms:	18
Heavy Atoms:	18
Chiral Atoms:	0

ZAP Information [?]

Total:	6.72845
Area:	442.777
Solvation:	-4.34098
Coulombic:	-18.5116

Bond Count [?]

All:	19
Single:	13
Double:	6
Rotors:	4
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	267.345
H-Bond Donors:	0
H-Bond Acceptors:	4
XLogP:	1.46
LogP (Chemaxon):	1.08

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