Chemical ID: 4746948

c1cc(c(cc1F)F)CNS(=O)(=O)c2ccc(cc2F)F
Chemical ID:
4746948
Name [?]:
N-[(2,4-difluorophenyl)methyl]-2,4-difluoro-benzenesulfonamide
SMILES [?]:
c1cc(c(cc1F)F)CNS(=O)(=O)c2ccc(cc2F)F
InChi [?]:
InChI=1/C13H9F4NO2S/c14-9-2-1-8(11(16)5-9)7-18-21(19,20)13-4-3-10(15)6-12(13)17/h1-6,18H,7H2
InChi Info:
AuxInfo=1/0/N:2,1,16,15,5,18,9,3,6,17,4,19,14,7,21,8,20,10,12,13,11/E:(19,20)/CRV:21.6/rA:21nCCCCCCFFCNSOOCCCCCCFF/rB:s1;d2;s3;d4;d1s5;s6;s4;s3;s9;s10;d11;d11;s11;s14;d15;s16;d17;d14s18;s19;s17;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H9F4NO2S
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:5.32448
Area:445.062
Solvation:-5.80207
Coulombic:-24.617
Bond Count [?]
All:22
Single:14
Double:8
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:319.276
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.22
LogP (Chemaxon):3.26

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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