Chemical ID: 4039595

Cc1ccc(cc1Br)NS(=O)(=O)c2ccc(cc2F)F
Chemical ID:
4039595
Name [?]:
N-(3-bromo-4-methyl-phenyl)-2,4-difluoro-benzenesulfonamide
SMILES [?]:
Cc1ccc(cc1Br)NS(=O)(=O)c2ccc(cc2F)F
InChi [?]:
InChI=1/C13H10BrF2NO2S/c1-8-2-4-10(7-11(8)14)17-20(18,19)13-5-3-9(15)6-12(13)16/h2-7,17H,1H3
InChi Info:
AuxInfo=1/0/N:1,3,15,4,14,17,6,2,16,5,7,18,13,8,20,19,9,11,12,10/E:(18,19)/CRV:20.6/rA:20nCCCCCCCBrNSOOCCCCCCFF/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;d10;s10;s13;d14;s15;d16;d13s17;s18;s16;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H10BrF2NO2S
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:7.65661
Area:448.56
Solvation:-3.55738
Coulombic:-18.6077
Bond Count [?]
All:21
Single:13
Double:8
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:362.191
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.06
LogP (Chemaxon):4.15

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