Chemical ID: 4039658

CCc1ccc(cc1)S(=O)(=O)Nc2ccccc2C(C)(C)C
Chemical ID:
4039658
Name [?]:
4-ethyl-N-(2-tert-butylphenyl)-benzenesulfonamide
SMILES [?]:
CCc1ccc(cc1)S(=O)(=O)Nc2ccccc2C(C)(C)C
InChi [?]:
InChI=1/C18H23NO2S/c1-5-14-10-12-15(13-11-14)22(20,21)19-17-9-7-6-8-16(17)18(2,3)4/h6-13,19H,5H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,20,21,22,2,16,15,17,14,4,8,5,7,3,6,18,13,19,12,10,11,9/E:(2,3,4)(10,11)(12,13)(20,21)/CRV:22.6/rA:22nCCCCCCCCSOONCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;d9;s9;s12;s13;d14;s15;d16;d13s17;s18;s19;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H23NO2S
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:10.5825
Area:490.263
Solvation:-1.67402
Coulombic:-15.3677
Bond Count [?]
All:23
Single:15
Double:8
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:317.447
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.22
LogP (Chemaxon):5.1

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Descriptor Annotations

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