Chemical ID: 4090622

CCc1ccc(cc1)S(=O)(=O)Nc2cc(ccc2C)C
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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Descriptor Annotations

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