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Chemical ID: 4211662

COc1ccc(c(c1)NS(=O)(=O)c2ccc(cc2)NS(=O)(=O)c3ccc(cc3)Cl)OC

Chemical ID:

4211662

Name [?]:

4-(4-chlorophenyl)sulfonylamino-N-(2,5-dimethoxyphenyl)-benzenesulfonamide

SMILES [?]:

COc1ccc(c(c1)NS(=O)(=O)c2ccc(cc2)NS(=O)(=O)c3ccc(cc3)Cl)OC

InChi [?]:

InChI=1/C20H19ClN2O6S2/c1-28-16-7-12-20(29-2)19(13-16)23-31(26,27)18-10-5-15(6-11-18)22-30(24,25)17-8-3-14(21)4-9-17/h3-13,22-23H,1-2H3

InChi Info:

AuxInfo=1/0/N:1,31,25,27,15,17,4,24,28,14,18,5,8,26,16,3,23,13,7,6,29,19,9,21,22,11,12,2,30,20,10/E:(3,4)(5,6)(8,9)(10,11)(24,25)(26,27)/CRV:30.6,31.6/rA:31nCOCCCCCCNSOOCCCCCCNSOOCCCCCCClOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;d10;d10;s10;s13;d14;s15;d16;d13s17;s16;s19;d20;d20;s20;s23;d24;s25;d26;d23s27;s26;s6;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₁₉ClN₂O₆S₂
All Atoms:	31
Heavy Atoms:	31
Chiral Atoms:	0

ZAP Information [?]

Total:	9.99637
Area:	623.805
Solvation:	-5.59876
Coulombic:	-39.0762

Bond Count [?]

All:	33
Single:	20
Double:	13
Rotors:	8
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	482.959
H-Bond Donors:	2
H-Bond Acceptors:	8
XLogP:	3.86
LogP (Chemaxon):	3.18

Name Annotations

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

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