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Chemical ID: 6309635

COc1ccccc1NS(=O)(=O)c2ccc(cc2)NC(=O)c3ccc(o3)COc4cc(ccc4Cl)Cl

Chemical ID:

6309635

Name [?]:

5-[(2,5-dichlorophenoxy)methyl]-N-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]-furan-2-carboxamide

SMILES [?]:

COc1ccccc1NS(=O)(=O)c2ccc(cc2)NC(=O)c3ccc(o3)COc4cc(ccc4Cl)Cl

InChi [?]:

InChI=1/C25H20Cl2N2O6S/c1-33-22-5-3-2-4-21(22)29-36(31,32)19-10-7-17(8-11-19)28-25(30)23-13-9-18(35-23)15-34-24-14-16(26)6-12-20(24)27/h2-14,29H,15H2,1H3,(H,28,30)

InChi Info:

AuxInfo=1/1/N:1,6,5,7,4,32,15,17,24,14,18,33,23,30,27,31,16,25,13,34,8,3,22,29,20,36,35,19,9,21,11,12,2,28,26,10/E:(7,8)(10,11)(31,32)/CRV:36.6/rA:36nCOCCCCCCNSOOCCCCCCNCOCCCCOCOCCCCCCClCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;d10;s10;s13;d14;s15;d16;d13s17;s16;s19;d20;s20;d22;s23;d24;s22s25;s25;s27;s28;s29;d30;s31;d32;d29s33;s34;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₂₀Cl₂N₂O₆S
All Atoms:	36
Heavy Atoms:	36
Chiral Atoms:	0

ZAP Information [?]

Total:	13.4854
Area:	781.418
Solvation:	-6.05009
Coulombic:	-59.1371

Bond Count [?]

All:	39
Single:	25
Double:	14
Rotors:	10
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	547.408
H-Bond Donors:	2
H-Bond Acceptors:	7
XLogP:	5.18
LogP (Chemaxon):	4.68

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

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Chemical Mix	Source	External ID	Descriptor	Value