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Chemical ID: 5503263

Chemical ID:

5503263

Name [?]:

methyl 2-(2,3-dichlorophenyl)sulfonylaminobenzoate

SMILES [?]:

COC(=O)c1ccccc1NS(=O)(=O)c2cccc(c2Cl)Cl

InChi [?]:

InChI=1/C14H11Cl2NO4S/c1-21-14(18)9-5-2-3-7-11(9)17-22(19,20)12-8-4-6-10(15)13(12)16/h2-8,17H,1H3

InChi Info:

AuxInfo=1/0/N:1,7,8,17,6,18,9,16,5,19,10,15,20,3,22,21,11,4,13,14,2,12/E:(19,20)/CRV:22.6/rA:22nCOCOCCCCCCNSOOCCCCCCClCl/rB:s1;s2;d3;s3;s5;d6;s7;d8;d5s9;s10;s11;d12;d12;s12;s15;d16;s17;d18;d15s19;s20;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₄H₁₁Cl₂NO₄S
All Atoms:	22
Heavy Atoms:	22
Chiral Atoms:	0

ZAP Information [?]

Total:	9.55826
Area:	501.166
Solvation:	-2.97089
Coulombic:	-32.8163

Bond Count [?]

All:	23
Single:	14
Double:	9
Rotors:	5
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	360.213
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	4.32
LogP (Chemaxon):	3.19

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