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Chemical ID: 5564290

CN(c1ccc(cc1)Cl)S(=O)(=O)c2cc(ccc2Cl)C(=O)Nc3ccc(cc3OC)OC

Chemical ID:

5564290

Name [?]:

4-chloro-3-[(4-chlorophenyl)-methyl-sulfamoyl]-N-(2,4-dimethoxyphenyl)-benzamide

SMILES [?]:

CN(c1ccc(cc1)Cl)S(=O)(=O)c2cc(ccc2Cl)C(=O)Nc3ccc(cc3OC)OC

InChi [?]:

InChI=1/C22H20Cl2N2O5S/c1-26(16-7-5-15(23)6-8-16)32(28,29)21-12-14(4-10-18(21)24)22(27)25-19-11-9-17(30-2)13-20(19)31-3/h4-13H,1-3H3,(H,25,27)

InChi Info:

AuxInfo=1/1/N:1,32,30,16,5,7,4,8,25,17,24,14,27,15,6,3,26,18,23,28,13,20,9,19,22,2,21,11,12,31,29,10/E:(5,6)(7,8)(28,29)/CRV:32.6/rA:32cCNCCCCCCClSOOCCCCCCClCONCCCCCCOCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s2;d10;d10;s10;s13;d14;s15;d16;d13s17;s18;s15;d20;s20;s22;s23;d24;s25;d26;d23s27;s28;s29;s26;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₂₀Cl₂N₂O₅S
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	1

ZAP Information [?]

Total:	11.6957
Area:	682.125
Solvation:	-5.3574
Coulombic:	-44.0414

Bond Count [?]

All:	34
Single:	22
Double:	12
Rotors:	8
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	495.376
H-Bond Donors:	1
H-Bond Acceptors:	7
XLogP:	5.32
LogP (Chemaxon):	4.44

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

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