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Chemical ID: 7434657

Cc1ccc2cc(ccc2c1)S(=O)(=O)N3CCN(CC3)c4ccccc4

Chemical ID:

7434657

Name [?]:

1-[(6-methyl-2-naphthyl)sulfonyl]-4-phenyl-piperazine

SMILES [?]:

Cc1ccc2cc(ccc2c1)S(=O)(=O)N3CCN(CC3)c4ccccc4

InChi [?]:

InChI=1/C21H22N2O2S/c1-17-7-8-19-16-21(10-9-18(19)15-17)26(24,25)23-13-11-22(12-14-23)20-5-3-2-4-6-20/h2-10,15-16H,11-14H2,1H3

InChi Info:

AuxInfo=1/0/N:1,24,23,25,22,26,3,4,9,8,17,19,16,20,11,6,2,10,5,21,7,18,15,13,14,12/E:(3,4)(5,6)(11,12)(13,14)(24,25)/CRV:26.6/rA:26nCCCCCCCCCCCSOONCCNCCCCCCCC/rB:s1;s2;d3;s4;s5;d6;s7;d8;d5s9;d2s10;s7;d12;d12;s12;s15;s16;s17;s18;s15s19;s18;s21;d22;s23;d24;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₁H₂₂N₂O₂S
All Atoms:	48
Heavy Atoms:	26
Chiral Atoms:	0

ZAP Information [?]

Total:	11.3441
Area:	560.637
Solvation:	-2.67178
Coulombic:	-16.3924

Bond Count [?]

All:	29
Single:	19
Double:	10
Rotors:	3
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	366.478
H-Bond Donors:	0
H-Bond Acceptors:	4
XLogP:	4.62
LogP (Chemaxon):	4.6

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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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