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Chemical ID: 4746948
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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