Chemical ID: 6477250

CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc2ccccc2Br
Chemical ID:
6477250
Name [?]:
N-(2-bromophenyl)-4-tert-butyl-benzenesulfonamide
SMILES [?]:
CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc2ccccc2Br
InChi [?]:
InChI=1/C16H18BrNO2S/c1-16(2,3)12-8-10-13(11-9-12)21(19,20)18-15-7-5-4-6-14(15)17/h4-11,18H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,4,18,17,19,16,6,10,7,9,5,8,20,15,2,21,14,12,13,11/E:(1,2,3)(8,9)(10,11)(19,20)/CRV:21.6/rA:21nCCCCCCCCCCSOONCCCCCCBr/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s8;d11;d11;s11;s14;s15;d16;s17;d18;d15s19;s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H18BrNO2S
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:10.7965
Area:493.822
Solvation:-1.54902
Coulombic:-15.362
Bond Count [?]
All:22
Single:14
Double:8
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:368.29
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.33
LogP (Chemaxon):5.03

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