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Chemical ID: 5476843

Cc1ccc(cc1)S(=O)(=O)Nc2ccc(cc2)C(=O)Nc3ccc(cc3)OCc4ccccc4

Chemical ID:

5476843

Name [?]:

N-(4-benzyloxyphenyl)-4-(p-tolylsulfonylamino)benzamide

SMILES [?]:

Cc1ccc(cc1)S(=O)(=O)Nc2ccc(cc2)C(=O)Nc3ccc(cc3)OCc4ccccc4

InChi [?]:

InChI=1/C27H24N2O4S/c1-20-7-17-26(18-8-20)34(31,32)29-24-11-9-22(10-12-24)27(30)28-23-13-15-25(16-14-23)33-19-21-5-3-2-4-6-21/h2-18,29H,19H2,1H3,(H,28,30)

InChi Info:

AuxInfo=1/1/N:1,32,31,33,30,34,3,7,14,16,13,17,22,26,23,25,4,6,28,2,29,15,21,12,24,5,18,20,11,19,9,10,27,8/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(31,32)/CRV:34.6/rA:34nCCCCCCCSOONCCCCCCCONCCCCCCOCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;d8;s8;s11;s12;d13;s14;d15;d12s16;s15;d18;s18;s20;s21;d22;s23;d24;d21s25;s24;s27;s28;s29;d30;s31;d32;d29s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₇H₂₄N₂O₄S
All Atoms:	34
Heavy Atoms:	34
Chiral Atoms:	0

ZAP Information [?]

Total:	13.388
Area:	720.95
Solvation:	-4.63581
Coulombic:	-43.8289

Bond Count [?]

All:	37
Single:	22
Double:	15
Rotors:	9
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	472.557
H-Bond Donors:	2
H-Bond Acceptors:	6
XLogP:	5.75
LogP (Chemaxon):	5.65

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