Chemical ID: 4460011

CC(C)Cc1ccc(cc1)S(=O)(=O)Nc2cccc(c2)Br
Chemical ID:
4460011
Name [?]:
N-(3-bromophenyl)-4-isobutyl-benzenesulfonamide
SMILES [?]:
CC(C)Cc1ccc(cc1)S(=O)(=O)Nc2cccc(c2)Br
InChi [?]:
InChI=1/C16H18BrNO2S/c1-12(2)10-13-6-8-16(9-7-13)21(19,20)18-15-5-3-4-14(17)11-15/h3-9,11-12,18H,10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,17,18,16,6,10,7,9,4,20,2,5,19,15,8,21,14,12,13,11/E:(1,2)(6,7)(8,9)(19,20)/CRV:21.6/rA:21nCCCCCCCCCCSOONCCCCCCBr/rB:s1;s2;s2;s4;s5;d6;s7;d8;d5s9;s8;d11;d11;s11;s14;s15;d16;s17;d18;d15s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H18BrNO2S
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:10.8841
Area:501.366
Solvation:-1.65006
Coulombic:-14.9499
Bond Count [?]
All:22
Single:14
Double:8
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:368.29
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.49
LogP (Chemaxon):4.99

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