Chemical ID: 4679014

COc1ccccc1NS(=O)(=O)c2ccc(c(c2)Cl)Cl
Chemical ID:
4679014
Name [?]:
3,4-dichloro-N-(2-methoxyphenyl)-benzenesulfonamide
SMILES [?]:
COc1ccccc1NS(=O)(=O)c2ccc(c(c2)Cl)Cl
InChi [?]:
InChI=1/C13H11Cl2NO3S/c1-19-13-5-3-2-4-12(13)16-20(17,18)9-6-7-10(14)11(15)8-9/h2-8,16H,1H3
InChi Info:
AuxInfo=1/0/N:1,6,5,7,4,14,15,18,13,16,17,8,3,20,19,9,11,12,2,10/E:(17,18)/CRV:20.6/rA:20nCOCCCCCCNSOOCCCCCCClCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;d10;s10;s13;d14;s15;d16;d13s17;s17;s16;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H11Cl2NO3S
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:9.20882
Area:484.539
Solvation:-2.90467
Coulombic:-21.2276
Bond Count [?]
All:21
Single:13
Double:8
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:332.203
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.87
LogP (Chemaxon):3.39

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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