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Chemical ID: 4102844

CN(c1ccc(cc1)C(=O)Nc2ccc(cc2)OCc3ccccc3)S(=O)(=O)c4ccccc4

Chemical ID:

4102844

Name [?]:

N-(4-benzyloxyphenyl)-4-(methyl-phenylsulfonyl-amino)-benzamide

SMILES [?]:

CN(c1ccc(cc1)C(=O)Nc2ccc(cc2)OCc3ccccc3)S(=O)(=O)c4ccccc4

InChi [?]:

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

InChi Info:

AuxInfo=1/1/N:1,23,32,22,24,31,33,21,25,30,34,5,7,13,17,4,8,14,16,19,20,6,12,3,15,29,9,11,2,10,27,28,18,26/E:(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)(16,17)(18,19)(31,32)/CRV:34.6/rA:34cCNCCCCCCCONCCCCCCOCCCCCCCSOOCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;s11;s12;d13;s14;d15;d12s16;s15;s18;s19;s20;d21;s22;d23;d20s24;s2;d26;d26;s26;s29;d30;s31;d32;d29s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₇H₂₄N₂O₄S
All Atoms:	34
Heavy Atoms:	34
Chiral Atoms:	1

ZAP Information [?]

Total:	13.04
Area:	715.578
Solvation:	-4.84942
Coulombic:	-39.3229

Bond Count [?]

All:	37
Single:	22
Double:	15
Rotors:	9
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	472.557
H-Bond Donors:	1
H-Bond Acceptors:	6
XLogP:	5.87
LogP (Chemaxon):	5.43

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

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Chemical Mix	Source	External ID	Descriptor	Value