Chemical ID: 7312050

CC(C)c1ccc(cc1)S(=O)(=O)Nc2ccccc2Br
Chemical ID:
7312050
Name [?]:
N-(2-bromophenyl)-4-isopropyl-benzenesulfonamide
SMILES [?]:
CC(C)c1ccc(cc1)S(=O)(=O)Nc2ccccc2Br
InChi [?]:
InChI=1/C15H16BrNO2S/c1-11(2)12-7-9-13(10-8-12)20(18,19)17-15-6-4-3-5-14(15)16/h3-11,17H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,17,16,18,15,5,9,6,8,2,4,7,19,14,20,13,11,12,10/E:(1,2)(7,8)(9,10)(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;s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H16BrNO2S
All Atoms:36
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:10.4359
Area:479.307
Solvation:-1.5468
Coulombic:-15.1305
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

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