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Chemical ID: 6528253

Chemical ID:

6528253

Name [?]:

4-chloro-N-(4-chloro-2,6-dimethyl-phenyl)-benzenesulfonamide

SMILES [?]:

Cc1cc(cc(c1NS(=O)(=O)c2ccc(cc2)Cl)C)Cl

InChi [?]:

InChI=1/C14H13Cl2NO2S/c1-9-7-12(16)8-10(2)14(9)17-20(18,19)13-5-3-11(15)4-6-13/h3-8,17H,1-2H3

InChi Info:

AuxInfo=1/0/N:1,19,14,16,13,17,3,5,2,6,15,4,12,7,18,20,8,10,11,9/E:(1,2)(3,4)(5,6)(7,8)(9,10)(18,19)/CRV:20.6/rA:20nCCCCCCCNSOOCCCCCCClCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;d9;s9;s12;d13;s14;d15;d12s16;s15;s6;s4;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₄H₁₃Cl₂NO₂S
All Atoms:	20
Heavy Atoms:	20
Chiral Atoms:	0

ZAP Information [?]

Total:	10.2974
Area:	479.063
Solvation:	-1.67919
Coulombic:	-14.1109

Bond Count [?]

All:	21
Single:	13
Double:	8
Rotors:	3
Chiral:	0
Rigid Segments:	3

Chemical Properties

Molecular Weight:	330.23
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	4.41
LogP (Chemaxon):	4.58

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