Chemical ID: 4016046

CC(C)c1ccc(cc1)S(=O)(=O)Nc2cccc(c2)Br
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

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue