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Chemical ID: 5873671
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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