Chemical ID: 4508353

Cc1cc(c(c(c1)C)NS(=O)(=O)Cc2ccccc2)C
Chemical ID:
4508353
Name [?]:
1-phenyl-N-(2,4,6-trimethylphenyl)-methanesulfonamide
SMILES [?]:
Cc1cc(c(c(c1)C)NS(=O)(=O)Cc2ccccc2)C
InChi [?]:
InChI=1/C16H19NO2S/c1-12-9-13(2)16(14(3)10-12)17-20(18,19)11-15-7-5-4-6-8-15/h4-10,17H,11H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,8,20,17,16,18,15,19,7,3,13,2,6,4,14,5,9,11,12,10/E:(2,3)(5,6)(7,8)(9,10)(13,14)(18,19)/CRV:20.6/rA:20nCCCCCCCCNSOOCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;d10;s10;s13;s14;d15;s16;d17;d14s18;s4;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H19NO2S
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:9.20349
Area:466.385
Solvation:-2.45613
Coulombic:-12.3643
Bond Count [?]
All:21
Single:13
Double:8
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:289.394
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.6
LogP (Chemaxon):3.86

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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