Chemical ID: 4508451

CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc2ccc(c(c2)Br)O
Chemical ID:
4508451
Name [?]:
N-(3-bromo-4-hydroxy-phenyl)-4-tert-butyl-benzenesulfonamide
SMILES [?]:
CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc2ccc(c(c2)Br)O
InChi [?]:
InChI=1/C16H18BrNO3S/c1-16(2,3)11-4-7-13(8-5-11)22(20,21)18-12-6-9-15(19)14(17)10-12/h4-10,18-19H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,4,6,10,16,7,9,17,20,5,15,8,19,18,2,21,14,22,12,13,11/E:(1,2,3)(4,5)(7,8)(20,21)/CRV:22.6/rA:22nCCCCCCCCCCSOONCCCCCCBrO/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s8;d11;d11;s11;s14;s15;d16;s17;d18;d15s19;s19;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H18BrNO3S
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:10.1524
Area:511.9
Solvation:-2.64512
Coulombic:-29.8255
Bond Count [?]
All:23
Single:15
Double:8
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:384.289
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:4.5
LogP (Chemaxon):4.74

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