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Chemical ID: 4090622
Chemical ID:
4090622
Name [?]:
N-(2,5-dimethylphenyl)-4-ethyl-benzenesulfonamide
SMILES [?]:
CCc1ccc(cc1)S(=O)(=O)Nc2cc(ccc2C)C
InChi [?]:
InChI=1/C16H19NO2S/c1-4-14-7-9-15(10-8-14)20(18,19)17-16-11-12(2)5-6-13(16)3/h5-11,17H,4H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,20,19,2,16,17,4,8,5,7,14,15,18,3,6,13,12,10,11,9/E:(7,8)(9,10)(18,19)/CRV:20.6/rA:20nCCCCCCCCSOONCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;d9;s9;s12;s13;d14;s15;d16;d13s17;s18;s15;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H19NO2S |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.194 |
Area: | 473.82 |
Solvation: | -1.6515 |
Coulombic: | -14.4655 |
Bond Count [?]
All: | 21 |
Single: | 13 |
Double: | 8 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 289.394 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.28 |
LogP (Chemaxon): | 4.41 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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