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Chemical ID: 7359073

c1ccc2c(c1)CCN(C2)S(=O)(=O)c3cccc(c3)C(=O)NCCc4ccc(cc4Cl)Cl

Chemical ID:

7359073

Name [?]:

N-[2-(2,4-dichlorophenyl)ethyl]-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide

SMILES [?]:

c1ccc2c(c1)CCN(C2)S(=O)(=O)c3cccc(c3)C(=O)NCCc4ccc(cc4Cl)Cl

InChi [?]:

InChI=1/C24H22Cl2N2O3S/c25-21-9-8-18(23(26)15-21)10-12-27-24(29)19-6-3-7-22(14-19)32(30,31)28-13-11-17-4-1-2-5-20(17)16-28/h1-9,14-15H,10-13,16H2,(H,27,29)

InChi Info:

AuxInfo=1/1/N:1,2,16,6,3,17,15,26,27,24,7,23,8,19,29,10,5,25,18,4,28,14,30,20,32,31,22,9,21,12,13,11/E:(30,31)/CRV:32.6/rA:32cCCCCCCCCNCSOOCCCCCCCONCCCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s4s9;s9;d11;d11;s11;s14;d15;s16;d17;d14s18;s18;d20;s20;s22;s23;s24;s25;d26;s27;d28;d25s29;s30;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₂Cl₂N₂O₃S
All Atoms:	54
Heavy Atoms:	32
Chiral Atoms:	1

ZAP Information [?]

Total:	14.4015
Area:	718.491
Solvation:	-3.56082
Coulombic:	-32.225

Bond Count [?]

All:	35
Single:	23
Double:	12
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	489.415
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	5.18
LogP (Chemaxon):	4.89

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

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

Chemical Mix	Source	External ID	Descriptor	Value