Chemical ID: 5873671

CC(C)(C)c1ccc(cc1)S(=O)(=O)N(CCc2ccc(c(c2)OC)OC)Cc3ccc(cc3)Cl
Chemical ID:
5873671
Name [?]:
N-[(4-chlorophenyl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-tert-butyl-benzenesulfonamide
SMILES [?]:
CC(C)(C)c1ccc(cc1)S(=O)(=O)N(CCc2ccc(c(c2)OC)OC)Cc3ccc(cc3)Cl
InChi [?]:
InChI=1/C27H32ClNO4S/c1-27(2,3)22-9-13-24(14-10-22)34(30,31)29(19-21-6-11-23(28)12-7-21)17-16-20-8-15-25(32-4)26(18-20)33-5/h6-15,18H,16-17,19H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,3,4,26,24,29,33,18,6,10,30,32,7,9,19,16,15,22,27,17,28,5,31,8,20,21,2,34,14,12,13,25,23,11/E:(1,2,3)(6,7)(9,10)(11,12)(13,14)(30,31)/CRV:34.6/rA:34cCCCCCCCCCCSOONCCCCCCCCOCOCCCCCCCCCl/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s8;d11;d11;s11;s14;s15;s16;s17;d18;s19;d20;d17s21;s21;s23;s20;s25;s14;s27;s28;d29;s30;d31;d28s32;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H32ClNO4S
All Atoms:34
Heavy Atoms:34
Chiral Atoms:1
ZAP Information [?]
Total:12.5057
Area:739.948
Solvation:-5.99304
Coulombic:-25.5034
Bond Count [?]
All:36
Single:25
Double:11
Rotors:10
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:502.066
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:6.69
LogP (Chemaxon):6.62

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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