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Chemical ID: 4244345
Chemical ID:
4244345
Name [?]:
N-ethyl-4-fluoro-N-(m-tolyl)benzenesulfonamide
SMILES [?]:
CCN(c1cccc(c1)C)S(=O)(=O)c2ccc(cc2)F
InChi [?]:
InChI=1/C15H16FNO2S/c1-3-17(14-6-4-5-12(2)11-14)20(18,19)15-9-7-13(16)8-10-15/h4-11H,3H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,10,2,6,7,5,16,18,15,19,9,8,17,4,14,20,3,12,13,11/E:(7,8)(9,10)(18,19)/CRV:20.6/rA:20cCCNCCCCCCCSOOCCCCCCF/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s8;s3;d11;d11;s11;s14;d15;s16;d17;d14s18;s17;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H16FNO2S |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.38084 |
Area: | 450.16 |
Solvation: | -2.87317 |
Coulombic: | -12.2475 |
Bond Count [?]
All: | 21 |
Single: | 13 |
Double: | 8 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 293.357 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 4.3 |
LogP (Chemaxon): | 3.8 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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