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Chemical ID: 4041268
Chemical ID:
4041268
Name [?]:
N-ethyl-N-phenyl-4-tert-butyl-benzenesulfonamide
SMILES [?]:
CCN(c1ccccc1)S(=O)(=O)c2ccc(cc2)C(C)(C)C
InChi [?]:
InChI=1/C18H23NO2S/c1-5-19(16-9-7-6-8-10-16)22(20,21)17-13-11-15(12-14-17)18(2,3)4/h6-14H,5H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,20,21,22,2,7,6,8,5,9,15,17,14,18,16,4,13,19,3,11,12,10/E:(2,3,4)(7,8)(9,10)(11,12)(13,14)(20,21)/CRV:22.6/rA:22cCCNCCCCCCSOOCCCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s3;d10;d10;s10;s13;d14;s15;d16;d13s17;s16;s19;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H23NO2S |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.6714 |
Area: | 502.708 |
Solvation: | -1.89626 |
Coulombic: | -10.7852 |
Bond Count [?]
All: | 23 |
Single: | 15 |
Double: | 8 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 317.447 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 5.52 |
LogP (Chemaxon): | 4.82 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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