Chemical ID: 4445634

Cc1cccc(c1)S(=O)(=O)Nc2ccccc2F
Chemical ID:
4445634
Name [?]:
N-(2-fluorophenyl)-3-methyl-benzenesulfonamide
SMILES [?]:
Cc1cccc(c1)S(=O)(=O)Nc2ccccc2F
InChi [?]:
InChI=1/C13H12FNO2S/c1-10-5-4-6-11(9-10)18(16,17)15-13-8-3-2-7-12(13)14/h2-9,15H,1H3
InChi Info:
AuxInfo=1/0/N:1,15,14,4,3,5,16,13,7,2,6,17,12,18,11,9,10,8/E:(16,17)/CRV:18.6/rA:18nCCCCCCCSOONCCCCCCF/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;d8;s8;s11;s12;d13;s14;d15;d12s16;s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H12FNO2S
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:8.07202
Area:413.955
Solvation:-2.27685
Coulombic:-18.1786
Bond Count [?]
All:19
Single:11
Double:8
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:265.304
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.31
LogP (Chemaxon):3.21

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue