Chemical ID: 4201674

CCc1ccc(cc1)S(=O)(=O)N(CC)CC
Chemical ID:
4201674
Name [?]:
N,N,4-triethylbenzenesulfonamide
SMILES [?]:
CCc1ccc(cc1)S(=O)(=O)N(CC)CC
InChi [?]:
InChI=1/C12H19NO2S/c1-4-11-7-9-12(10-8-11)16(14,15)13(5-2)6-3/h7-10H,4-6H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,14,16,2,13,15,4,8,5,7,3,6,12,10,11,9/E:(2,3)(5,6)(7,8)(9,10)(14,15)/CRV:16.6/rA:16nCCCCCCCCSOONCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;d9;s9;s12;s13;s12;s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H19NO2S
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:8.86675
Area:419.747
Solvation:-1.62694
Coulombic:-8.97834
Bond Count [?]
All:16
Single:11
Double:5
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:241.351
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:2.86
LogP (Chemaxon):2.72

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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