Chemical ID: 4953050

CC(C)(C)c1cc(c(c(c1)Br)NS(=O)(=O)c2ccc(cc2)N)Br
Chemical ID:
4953050
Name [?]:
4-amino-N-(2,6-dibromo-4-tert-butyl-phenyl)-benzenesulfonamide
SMILES [?]:
CC(C)(C)c1cc(c(c(c1)Br)NS(=O)(=O)c2ccc(cc2)N)Br
InChi [?]:
InChI=1/C16H18Br2N2O2S/c1-16(2,3)10-8-13(17)15(14(18)9-10)20-23(21,22)12-6-4-11(19)5-7-12/h4-9,20H,19H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,4,18,20,17,21,6,10,5,19,16,7,9,8,2,23,11,22,12,14,15,13/E:(1,2,3)(4,5)(6,7)(8,9)(13,14)(17,18)(21,22)/CRV:23.6/rA:23nCCCCCCCCCCBrNSOOCCCCCCNBr/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s9;s8;s12;d13;d13;s13;s16;d17;s18;d19;d16s20;s19;s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H18Br2N2O2S
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:10.9043
Area:518.054
Solvation:-2.04701
Coulombic:-30.0088
Bond Count [?]
All:24
Single:16
Double:8
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:462.2
H-Bond Donors:3
H-Bond Acceptors:4
XLogP:4.81
LogP (Chemaxon):5.04

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