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Chemical ID: 7522841

COc1ccc(cc1)NS(=O)(=O)c2ccc(cc2)NC(=O)c3ccc(c(c3)S(=O)(=O)Nc4ccccc4)Cl

Chemical ID:

7522841

Name [?]:

4-chloro-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-3-(phenylsulfamoyl)benzamide

SMILES [?]:

COc1ccc(cc1)NS(=O)(=O)c2ccc(cc2)NC(=O)c3ccc(c(c3)S(=O)(=O)Nc4ccccc4)Cl

InChi [?]:

InChI=1/C26H22ClN3O6S2/c1-36-22-12-8-21(9-13-22)29-37(32,33)23-14-10-19(11-15-23)28-26(31)18-7-16-24(27)25(17-18)38(34,35)30-20-5-3-2-4-6-20/h2-17,29-30H,1H3,(H,28,31)

InChi Info:

AuxInfo=1/1/N:1,35,34,36,33,37,23,5,7,15,17,4,8,14,18,24,27,22,16,32,6,3,13,25,26,20,38,19,9,31,21,11,12,29,30,2,10,28/E:(3,4)(5,6)(8,9)(10,11)(12,13)(14,15)(32,33)(34,35)/CRV:37.6,38.6/rA:38nCOCCCCCCNSOOCCCCCCNCOCCCCCCSOONCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;d10;s10;s13;d14;s15;d16;d13s17;s16;s19;d20;s20;s22;d23;s24;d25;d22s26;s26;d28;d28;s28;s31;s32;d33;s34;d35;d32s36;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₂₂ClN₃O₆S₂
All Atoms:	60
Heavy Atoms:	38
Chiral Atoms:	None

ZAP Information [?]

Total:	13.5475
Area:	773.439
Solvation:	-5.78846
Coulombic:	-53.128

Bond Count [?]

All:	41
Single:	24
Double:	17
Rotors:	10
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	4.92
LogP (Chemaxon):	None

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value