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Chemical ID: 4016046
Chemical ID:
4016046
Name [?]:
N-(3-bromophenyl)-4-isopropyl-benzenesulfonamide
SMILES [?]:
CC(C)c1ccc(cc1)S(=O)(=O)Nc2cccc(c2)Br
InChi [?]:
InChI=1/C15H16BrNO2S/c1-11(2)12-6-8-15(9-7-12)20(18,19)17-14-5-3-4-13(16)10-14/h3-11,17H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,16,17,15,5,9,6,8,19,2,4,18,14,7,20,13,11,12,10/E:(1,2)(6,7)(8,9)(18,19)/CRV:20.6/rA:20nCCCCCCCCCSOONCCCCCCBr/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;d10;d10;s10;s13;s14;d15;s16;d17;d14s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H16BrNO2S |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.3952 |
Area: | 481.483 |
Solvation: | -1.64186 |
Coulombic: | -14.6458 |
Bond Count [?]
All: | 21 |
Single: | 13 |
Double: | 8 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 354.263 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.92 |
LogP (Chemaxon): | 4.59 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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