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Chemical ID: 4392050

COc1ccc(cc1)NS(=O)(=O)c2ccc(cc2)NS(=O)(=O)c3ccccc3

Chemical ID:

4392050

Name [?]:

4-(benzenesulfonamido)-N-(4-methoxyphenyl)-benzenesulfonamide

SMILES [?]:

COc1ccc(cc1)NS(=O)(=O)c2ccc(cc2)NS(=O)(=O)c3ccccc3

InChi [?]:

InChI=1/C19H18N2O5S2/c1-26-17-11-7-15(8-12-17)20-28(24,25)19-13-9-16(10-14-19)21-27(22,23)18-5-3-2-4-6-18/h2-14,20-21H,1H3

InChi Info:

AuxInfo=1/0/N:1,26,25,27,24,28,5,7,15,17,4,8,14,18,6,16,3,23,13,9,19,21,22,11,12,2,20,10/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(22,23)(24,25)/CRV:27.6,28.6/rA:28nCOCCCCCCNSOOCCCCCCNSOOCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;d10;s10;s13;d14;s15;d16;d13s17;s16;s19;d20;d20;s20;s23;d24;s25;d26;d23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₁₈N₂O₅S₂
All Atoms:	28
Heavy Atoms:	28
Chiral Atoms:	0

ZAP Information [?]

Total:	9.35732
Area:	555.754
Solvation:	-4.53652
Coulombic:	-32.215

Bond Count [?]

All:	30
Single:	17
Double:	13
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	418.489
H-Bond Donors:	2
H-Bond Acceptors:	7
XLogP:	3.32
LogP (Chemaxon):	2.92

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