Chemical ID: 4079564

CN(Cc1cccnc1)S(=O)(=O)c2ccccc2F
Chemical ID:
4079564
Name [?]:
2-fluoro-N-methyl-N-(3-pyridylmethyl)benzenesulfonamide
SMILES [?]:
CN(Cc1cccnc1)S(=O)(=O)c2ccccc2F
InChi [?]:
InChI=1/C13H13FN2O2S/c1-16(10-11-5-4-8-15-9-11)19(17,18)13-7-3-2-6-12(13)14/h2-9H,10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,16,15,6,5,17,14,7,9,3,4,18,13,19,8,2,11,12,10/E:(17,18)/CRV:19.6/rA:19cCNCCCCCNCSOOCCCCCCF/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s2;d10;d10;s10;s13;d14;s15;d16;d13s17;s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H13FN2O2S
All Atoms:19
Heavy Atoms:19
Chiral Atoms:1
ZAP Information [?]
Total:7.1722
Area:430.734
Solvation:-3.59615
Coulombic:-15.9654
Bond Count [?]
All:20
Single:12
Double:8
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:280.319
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:1.73
LogP (Chemaxon):1.78

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Descriptor Annotations

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