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Chemical ID: 5476439

Cc1ccc(cc1C)NS(=O)(=O)c2cc(ccc2Cl)C(=O)Nc3ccc(c(c3)Cl)OC

Chemical ID:

5476439

Name [?]:

4-chloro-N-(3-chloro-4-methoxy-phenyl)-3-[(3,4-dimethylphenyl)sulfamoyl]benzamide

SMILES [?]:

Cc1ccc(cc1C)NS(=O)(=O)c2cc(ccc2Cl)C(=O)Nc3ccc(c(c3)Cl)OC

InChi [?]:

InChI=1/C22H20Cl2N2O4S/c1-13-4-6-17(10-14(13)2)26-31(28,29)21-11-15(5-8-18(21)23)22(27)25-16-7-9-20(30-3)19(24)12-16/h4-12,26H,1-3H3,(H,25,27)

InChi Info:

AuxInfo=1/1/N:1,8,31,3,16,4,24,17,25,6,14,28,2,7,15,23,5,18,27,26,13,20,19,29,22,9,21,11,12,30,10/E:(28,29)/CRV:31.6/rA:31nCCCCCCCCNSOOCCCCCCClCONCCCCCCClOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;d10;s10;s13;d14;s15;d16;d13s17;s18;s15;d20;s20;s22;s23;d24;s25;d26;d23s27;s27;s26;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₂₀Cl₂N₂O₄S
All Atoms:	31
Heavy Atoms:	31
Chiral Atoms:	0

ZAP Information [?]

Total:	11.763
Area:	674.277
Solvation:	-5.09396
Coulombic:	-40.4711

Bond Count [?]

All:	33
Single:	21
Double:	12
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	479.377
H-Bond Donors:	2
H-Bond Acceptors:	6
XLogP:	5.72
LogP (Chemaxon):	5.38

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