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Chemical ID: 3966792

COc1ccc(cc1C(=O)NCCc2ccc(cc2)S(=O)(=O)NC(=O)NC3CCCCC3)Cl

Chemical ID:

3966792

Name [?]:

5-chloro-N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-2-methoxy-benzamide

SMILES [?]:

COc1ccc(cc1C(=O)NCCc2ccc(cc2)S(=O)(=O)NC(=O)NC3CCCCC3)Cl

InChi [?]:

InChI=1/C23H28ClN3O5S/c1-32-21-12-9-17(24)15-20(21)22(28)25-14-13-16-7-10-19(11-8-16)33(30,31)27-23(29)26-18-5-3-2-4-6-18/h7-12,15,18H,2-6,13-14H2,1H3,(H,25,28)(H2,26,27,29)

InChi Info:

AuxInfo=1/1/N:1,30,29,31,28,32,15,19,5,16,18,4,13,12,7,14,6,27,17,8,3,9,24,33,11,26,23,10,25,21,22,2,20/E:(3,4)(5,6)(7,8)(10,11)(30,31)/CRV:33.6/rA:33nCOCCCCCCCONCCCCCCCCSOONCONCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d9;s9;s11;s12;s13;s14;d15;s16;d17;d14s18;s17;d20;d20;s20;s23;d24;s24;s26;s27;s28;s29;s30;s27s31;s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₂₈ClN₃O₅S
All Atoms:	33
Heavy Atoms:	33
Chiral Atoms:	0

ZAP Information [?]

Total:	12.6183
Area:	743.187
Solvation:	-5.96141
Coulombic:	-63.9217

Bond Count [?]

All:	35
Single:	25
Double:	10
Rotors:	11
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	494.004
H-Bond Donors:	3
H-Bond Acceptors:	8
XLogP:	4.68
LogP (Chemaxon):	3.43

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