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Chemical ID: 7499232

c1ccc(cc1)OCCOc2ccc(cc2)C(=O)Nc3ccc(cc3)S(=O)(=O)N

Chemical ID:

7499232

Name [?]:

4-(2-phenoxyethoxy)-N-(4-sulfamoylphenyl)-benzamide

SMILES [?]:

c1ccc(cc1)OCCOc2ccc(cc2)C(=O)Nc3ccc(cc3)S(=O)(=O)N

InChi [?]:

InChI=1/C21H20N2O5S/c22-29(25,26)20-12-8-17(9-13-20)23-21(24)16-6-10-19(11-7-16)28-15-14-27-18-4-2-1-3-5-18/h1-13H,14-15H2,(H,23,24)(H2,22,25,26)

InChi Info:

AuxInfo=1/1/N:1,2,6,3,5,13,15,21,25,12,16,22,24,8,9,14,20,4,11,23,17,29,19,18,27,28,7,10,26/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)(25,26)/CRV:29.6/rA:29nCCCCCCOCCOCCCCCCCONCCCCCCSOON/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s11;d12;s13;d14;d11s15;s14;d17;s17;s19;s20;d21;s22;d23;d20s24;s23;d26;d26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₁H₂₀N₂O₅S
All Atoms:	49
Heavy Atoms:	29
Chiral Atoms:	0

ZAP Information [?]

Total:	9.87418
Area:	649.323
Solvation:	-6.35889
Coulombic:	-52.7498

Bond Count [?]

All:	31
Single:	19
Double:	12
Rotors:	9
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	412.46
H-Bond Donors:	3
H-Bond Acceptors:	7
XLogP:	2.83
LogP (Chemaxon):	3.1

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