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Chemical ID: 4189015

Chemical ID:

4189015

Name [?]:

1-(m-tolyl)-4-phenylsulfonyl-piperazine

SMILES [?]:

Cc1cccc(c1)N2CCN(CC2)S(=O)(=O)c3ccccc3

InChi [?]:

InChI=1/C17H20N2O2S/c1-15-6-5-7-16(14-15)18-10-12-19(13-11-18)22(20,21)17-8-3-2-4-9-17/h2-9,14H,10-13H2,1H3

InChi Info:

AuxInfo=1/0/N:1,20,19,21,4,3,5,18,22,9,13,10,12,7,2,6,17,8,11,15,16,14/E:(3,4)(8,9)(10,11)(12,13)(20,21)/CRV:22.6/rA:22nCCCCCCCNCCNCCSOOCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s10;s11;s8s12;s11;d14;d14;s14;s17;d18;s19;d20;d17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₇H₂₀N₂O₂S
All Atoms:	22
Heavy Atoms:	22
Chiral Atoms:	0

ZAP Information [?]

Total:	9.80369
Area:	496.886
Solvation:	-2.61846
Coulombic:	-15.7187

Bond Count [?]

All:	24
Single:	16
Double:	8
Rotors:	3
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	316.419
H-Bond Donors:	0
H-Bond Acceptors:	4
XLogP:	3.36
LogP (Chemaxon):	3.6

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