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Chemical ID: 4447368

Chemical ID:

4447368

Name [?]:

2,4-dichloro-N-(4-methoxyphenyl)-benzenesulfonamide

SMILES [?]:

COc1ccc(cc1)NS(=O)(=O)c2ccc(cc2Cl)Cl

InChi [?]:

InChI=1/C13H11Cl2NO3S/c1-19-11-5-3-10(4-6-11)16-20(17,18)13-7-2-9(14)8-12(13)15/h2-8,16H,1H3

InChi Info:

AuxInfo=1/0/N:1,15,5,7,4,8,14,17,16,6,3,18,13,20,19,9,11,12,2,10/E:(3,4)(5,6)(17,18)/CRV:20.6/rA:20nCOCCCCCCNSOOCCCCCCClCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;d10;s10;s13;d14;s15;d16;d13s17;s18;s16;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₃H₁₁Cl₂NO₃S
All Atoms:	20
Heavy Atoms:	20
Chiral Atoms:	0

ZAP Information [?]

Total:	8.75992
Area:	480.551
Solvation:	-3.25386
Coulombic:	-19.9969

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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Chemical Mix	Source	External ID	Descriptor	Value