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Chemical ID: 7062959

c1ccc2c(c1)CCN(C2c3ccncc3)S(=O)(=O)c4ccc(cc4)Cl

Chemical ID:

7062959

Name [?]:

2-(4-chlorophenyl)sulfonyl-1-(4-pyridyl)-3,4-dihydro-1H-isoquinoline

SMILES [?]:

c1ccc2c(c1)CCN(C2c3ccncc3)S(=O)(=O)c4ccc(cc4)Cl

InChi [?]:

InChI=1/C20H17ClN2O2S/c21-17-5-7-18(8-6-17)26(24,25)23-14-11-15-3-1-2-4-19(15)20(23)16-9-12-22-13-10-16/h1-10,12-13,20H,11,14H2

InChi Info:

AuxInfo=1/0/N:1,2,6,3,22,24,21,25,12,16,7,13,15,8,5,11,23,20,4,10,26,14,9,18,19,17/E:(5,6)(7,8)(9,10)(12,13)(24,25)/CRV:26.6/rA:26cCCCCCCCCNCCCCNCCSOOCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s4s9;s10;s11;d12;s13;d14;d11s15;s9;d17;d17;s17;s20;d21;s22;d23;d20s24;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₁₇ClN₂O₂S
All Atoms:	43
Heavy Atoms:	26
Chiral Atoms:	2

ZAP Information [?]

Total:	10.0735
Area:	526.812
Solvation:	-3.09683
Coulombic:	-14.2607

Bond Count [?]

All:	29
Single:	18
Double:	11
Rotors:	3
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	384.88
H-Bond Donors:	0
H-Bond Acceptors:	3
XLogP:	3.61
LogP (Chemaxon):	3.98

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