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Chemical ID: 4201674
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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