Chemical ID: 4039842

CCCc1ccc(cc1)S(=O)(=O)Nc2cccc(c2)Br
Chemical ID:
4039842
Name [?]:
N-(3-bromophenyl)-4-propyl-benzenesulfonamide
SMILES [?]:
CCCc1ccc(cc1)S(=O)(=O)Nc2cccc(c2)Br
InChi [?]:
InChI=1/C15H16BrNO2S/c1-2-4-12-7-9-15(10-8-12)20(18,19)17-14-6-3-5-13(16)11-14/h3,5-11,17H,2,4H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,16,3,17,15,5,9,6,8,19,4,18,14,7,20,13,11,12,10/E:(7,8)(9,10)(18,19)/CRV:20.6/rA:20nCCCCCCCCCSOONCCCCCCBr/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;d10;d10;s10;s13;s14;d15;s16;d17;d14s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H16BrNO2S
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:10.5791
Area:489.149
Solvation:-1.64963
Coulombic:-14.6912
Bond Count [?]
All:21
Single:13
Double:8
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:354.263
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.98
LogP (Chemaxon):4.66

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