Chemical ID: 4041268

CCN(c1ccccc1)S(=O)(=O)c2ccc(cc2)C(C)(C)C
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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