Chemical ID: 4487861

COc1ccc(cc1Br)S(=O)(=O)Nc2ccc(c(c2)F)F
Chemical ID:
4487861
Name [?]:
3-bromo-N-(3,4-difluorophenyl)-4-methoxy-benzenesulfonamide
SMILES [?]:
COc1ccc(cc1Br)S(=O)(=O)Nc2ccc(c(c2)F)F
InChi [?]:
InChI=1/C13H10BrF2NO3S/c1-20-13-5-3-9(7-10(13)14)21(18,19)17-8-2-4-11(15)12(16)6-8/h2-7,17H,1H3
InChi Info:
AuxInfo=1/0/N:1,15,5,16,4,19,7,14,6,8,17,18,3,9,21,20,13,11,12,2,10/E:(18,19)/CRV:21.6/rA:21nCOCCCCCCBrSOONCCCCCCFF/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s6;d10;d10;s10;s13;s14;d15;s16;d17;d14s18;s18;s17;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H10BrF2NO3S
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:6.53655
Area:465.893
Solvation:-5.11077
Coulombic:-25.4679
Bond Count [?]
All:22
Single:14
Double:8
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:378.19
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.75
LogP (Chemaxon):3.43

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